 Entering Gaussian System, Link 0=g16
 Input=14_bornylOAc_STD_B3LYPDBJ-augccpVDZr.in
 Output=14_bornylOAc_STD_B3LYPDBJ-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/14_bornylOAc_STD/Gau-70792.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/14_bornylOAc_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     70793.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 9-Jul-2021 
 ******************************************
 %NoSave
 %nproc=12
 Will use up to   12 processors via shared memory.
 %mem=128GB
 %chk=14_bornylOAc_STD_B3LYPDBJ-augccpVDZr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul  9 21:12:27 2021, MaxMem= 17179869184 cpu:               1.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "14_bornylOAc_STD_B3LYPDBJ-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.240639000000     -1.220521000000     -1.593952000000
  C                                                -0.772379000000     -1.711714000000     -0.196556000000
  C                                                -1.356487000000      0.301932000000     -1.398559000000
  C                                                 0.077396000000      0.849484000000     -1.275021000000
  C                                                 0.495406000000      0.398364000000      0.144405000000
  C                                                -0.704790000000     -0.420476000000      0.653009000000
  H                                                -2.195583000000     -1.663465000000     -1.875848000000
  H                                                -0.528201000000     -1.466626000000     -2.381766000000
  H                                                 0.193323000000     -2.210778000000     -0.227221000000
  H                                                -1.481233000000     -2.413249000000      0.242895000000
  C                                                -1.888350000000      0.419572000000      0.056917000000
  H                                                -1.959508000000      0.805110000000     -2.154682000000
  H                                                 0.128882000000      1.932113000000     -1.369936000000
  H                                                 0.741881000000      0.427523000000     -2.028774000000
  H                                                 0.689863000000      1.251037000000      0.790022000000
  O                                                 1.689332000000     -0.414672000000      0.164040000000
  C                                                -0.691646000000     -0.656663000000      2.148773000000
  C                                                -3.263934000000     -0.215407000000      0.272245000000
  C                                                -1.976808000000      1.860613000000      0.570939000000
  H                                                 0.188258000000     -1.234779000000      2.438218000000
  H                                                -1.573690000000     -1.214726000000      2.468040000000
  H                                                -0.666490000000      0.284659000000      2.701973000000
  H                                                -3.312198000000     -1.262484000000     -0.016360000000
  H                                                -4.016543000000      0.322861000000     -0.308315000000
  H                                                -3.555175000000     -0.148366000000      1.322428000000
  H                                                -1.062281000000      2.434735000000      0.442068000000
  H                                                -2.228382000000      1.873406000000      1.633417000000
  H                                                -2.771733000000      2.392658000000      0.043778000000
  C                                                 2.862479000000      0.235712000000      0.052007000000
  C                                                 4.017566000000     -0.727490000000      0.101407000000
  O                                                 2.958317000000      1.430494000000     -0.072931000000
  H                                                 3.985571000000     -1.302060000000      1.027842000000
  H                                                 4.952347000000     -0.178454000000      0.034385000000
  H                                                 3.942814000000     -1.436137000000     -0.724719000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     34 NQM=       34 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1          16          12          12          12           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  12.0000000  12.0000000  12.0000000   1.0078250
 NucSpn=           0           1           1           1           1           0           0           0           0           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   3.6000000   3.6000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   6.0000000   6.0000000   6.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12          12
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000
 NucSpn=           1           1           1           1           1           1           1           1           0           0
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000

  Atom        31          32          33          34
 IAtWgt=          16           1           1           1
 AtmWgt=  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1
 AtZEff=   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   8.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul  9 21:12:27 2021, MaxMem= 17179869184 cpu:               1.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.240639   -1.220521   -1.593952
      2          6           0       -0.772379   -1.711714   -0.196556
      3          6           0       -1.356487    0.301932   -1.398559
      4          6           0        0.077396    0.849484   -1.275021
      5          6           0        0.495406    0.398364    0.144405
      6          6           0       -0.704790   -0.420476    0.653009
      7          1           0       -2.195583   -1.663465   -1.875848
      8          1           0       -0.528201   -1.466626   -2.381766
      9          1           0        0.193323   -2.210778   -0.227221
     10          1           0       -1.481233   -2.413249    0.242895
     11          6           0       -1.888350    0.419572    0.056917
     12          1           0       -1.959508    0.805110   -2.154682
     13          1           0        0.128882    1.932113   -1.369936
     14          1           0        0.741881    0.427523   -2.028774
     15          1           0        0.689863    1.251037    0.790022
     16          8           0        1.689332   -0.414672    0.164040
     17          6           0       -0.691646   -0.656663    2.148773
     18          6           0       -3.263934   -0.215407    0.272245
     19          6           0       -1.976808    1.860613    0.570939
     20          1           0        0.188258   -1.234779    2.438218
     21          1           0       -1.573690   -1.214726    2.468040
     22          1           0       -0.666490    0.284659    2.701973
     23          1           0       -3.312198   -1.262484   -0.016360
     24          1           0       -4.016543    0.322861   -0.308315
     25          1           0       -3.555175   -0.148366    1.322428
     26          1           0       -1.062281    2.434735    0.442068
     27          1           0       -2.228382    1.873406    1.633417
     28          1           0       -2.771733    2.392658    0.043778
     29          6           0        2.862479    0.235712    0.052007
     30          6           0        4.017566   -0.727490    0.101407
     31          8           0        2.958317    1.430494   -0.072931
     32          1           0        3.985571   -1.302060    1.027842
     33          1           0        4.952347   -0.178454    0.034385
     34          1           0        3.942814   -1.436137   -0.724719
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.553465   0.000000
     3  C    1.539306   2.416767   0.000000
     4  C    2.474642   2.906018   1.539836   0.000000
     5  C    2.942197   2.485148   2.412373   1.546936   0.000000
     6  C    2.444594   1.547134   2.270576   2.437604   1.539366
     7  H    1.089763   2.201785   2.189674   3.441270   3.946389
     8  H    1.090315   2.212427   2.186447   2.637423   3.302650
     9  H    2.214680   1.087468   3.176107   3.236746   2.652731
    10  H    2.203291   1.089836   3.175239   3.921584   3.438309
    11  C    2.415534   2.419095   1.554068   2.413098   2.385455
    12  H    2.221345   3.402637   1.090204   2.219178   3.387897
    13  H    3.444542   3.932756   2.205591   1.088001   2.186311
    14  H    2.614480   3.197865   2.194560   1.089833   2.187306
    15  H    3.939387   3.448098   3.142966   2.191064   1.087054
    16  O    3.510649   2.805774   3.497463   2.503463   1.444601
    17  C    3.824568   2.572979   3.734231   3.818674   2.557277
    18  C    2.930302   2.943901   2.587968   3.833081   3.811259
    19  C    3.836937   3.847235   2.587123   2.941038   2.903781
    20  H    4.277890   2.844701   4.412321   4.259646   2.832503
    21  H    4.075627   2.826512   4.159088   4.582309   3.504639
    22  H    4.588048   3.521106   4.158216   4.085202   2.811420
    23  H    2.604211   2.585529   2.860538   4.187360   4.157176
    24  H    3.426446   3.831003   2.874886   4.239362   4.535233
    25  H    3.874515   3.534872   3.527147   4.575808   4.253688
    26  H    4.187850   4.205345   2.832545   2.600054   2.581046
    27  H    4.578639   4.280401   3.524572   3.850200   3.436848
    28  H    4.252231   4.571766   2.907644   3.498307   3.829038
    29  C    4.654608   4.131155   4.461861   3.145538   2.374453
    30  C    5.546714   4.899087   5.673628   4.461652   3.697973
    31  O    5.193517   4.879226   4.652792   3.175264   2.679264
    32  H    5.847540   4.930016   6.082581   5.020573   3.981602
    33  H    6.487716   5.930996   6.487333   5.151344   4.495458
    34  H    5.260251   4.752678   5.617609   4.524196   4.000674
                    6          7          8          9         10
     6  C    0.000000
     7  H    3.187884   0.000000
     8  H    3.214883   1.753528   0.000000
     9  H    2.187828   2.953709   2.390904   0.000000
    10  H    2.177660   2.358293   2.948425   1.751040   0.000000
    11  C    1.569019   2.858149   3.369707   3.366428   2.867962
    12  H    3.310515   2.495464   2.694623   4.176765   4.041653
    13  H    3.212785   4.311295   3.606520   4.298081   4.906716
    14  H    3.162897   3.608921   2.307707   3.241472   4.262945
    15  H    2.181235   4.891522   4.350817   3.642183   4.294182
    16  O    2.443552   4.562148   3.536268   2.370047   3.748735
    17  C    1.514354   4.412828   4.605273   2.973851   2.709504
    18  C    2.595429   2.802240   4.011678   4.022884   2.830087
    19  C    2.613070   4.295783   4.678402   4.682174   4.314986
    20  H    2.155828   4.947488   4.878454   2.838515   2.999239
    21  H    2.163367   4.411063   4.967607   3.373260   2.529086
    22  H    2.167242   5.204782   5.378710   3.942926   3.740264
    23  H    2.820569   2.205745   3.658888   3.637637   2.178051
    24  H    3.527662   3.117458   4.435087   4.914150   3.770667
    25  H    2.940554   3.791172   4.961999   4.550406   3.255199
    26  H    2.885225   4.842763   4.845606   4.858527   4.870127
    27  H    2.923085   4.982517   5.492552   5.099724   4.568062
    28  H    3.543605   4.524273   5.080430   5.482392   4.980139
    29  C    3.676574   5.736505   4.507540   3.631484   5.091293
    30  C    4.764364   6.587018   5.232253   4.114970   5.753138
    31  O    4.167905   6.275809   5.087222   4.574698   5.880792
    32  H    4.787189   6.838764   5.659209   4.096596   5.633545
    33  H    5.696005   7.546334   6.126465   5.181418   6.813864
    34  H    4.952769   6.249535   4.768303   3.860862   5.595651
                   11         12         13         14         15
    11  C    0.000000
    12  H    2.246080   0.000000
    13  H    2.897053   2.499467   0.000000
    14  H    3.356827   2.730554   1.753176   0.000000
    15  H    2.806414   3.986138   2.333234   2.937089   0.000000
    16  O    3.675221   4.492034   3.208658   2.532862   2.040926
    17  C    2.639364   4.718472   4.444811   4.547786   2.719208
    18  C    1.530293   2.938189   4.338179   4.664183   4.248654
    19  C    1.532528   2.922909   2.864618   4.025360   2.744215
    20  H    3.566479   5.465233   4.953258   4.798308   3.024473
    21  H    2.929753   5.059462   5.247038   5.317912   3.744249
    22  H    2.916756   5.052708   4.463985   4.938004   2.535574
    23  H    2.205000   3.267589   4.886579   4.831303   4.794219
    24  H    2.161470   2.805892   4.571792   5.060981   4.921190
    25  H    2.168497   3.942786   5.014927   5.479680   4.501348
    26  H    2.211699   3.194339   2.225951   3.659093   2.142947
    27  H    2.171315   3.945028   3.818412   4.932006   3.100776
    28  H    2.161853   2.830767   3.259487   4.527992   3.720595
    29  C    4.754388   5.333409   3.517421   2.977142   2.509146
    30  C    6.016442   6.569948   4.935605   4.074535   3.932222
    31  O    4.952677   5.376783   3.152705   3.121516   2.433675
    32  H    6.197553   7.064884   5.575237   4.780783   4.175710
    33  H    6.866824   7.316635   5.449076   4.727775   4.558860
    34  H    6.169042   6.473437   5.129083   3.926800   4.482972
                   16         17         18         19         20
    16  O    0.000000
    17  C    3.109145   0.000000
    18  C    4.958453   3.214456   0.000000
    19  C    4.333944   3.236955   2.460848   0.000000
    20  H    2.845643   1.091892   4.200975   4.213751   0.000000
    21  H    4.073796   1.091498   2.945688   3.635823   1.762314
    22  H    3.532714   1.092131   3.591707   2.956665   1.763194
    23  H    5.076084   3.452841   1.087195   3.447016   4.275385
    24  H    5.772702   4.248728   1.092338   2.701534   5.258330
    25  H    5.377512   3.023410   1.091879   2.663076   4.054451
    26  H    3.970868   3.550627   3.449546   1.087467   4.360481
    27  H    4.768947   3.004729   2.699685   1.091931   4.018540
    28  H    5.272254   4.249250   2.663919   1.092189   5.258630
    29  C    1.346040   4.221915   6.146946   5.131110   3.873991
    30  C    2.349990   5.135504   7.301483   6.546087   4.514602
    31  O    2.251914   4.755462   6.445506   4.995501   4.591598
    32  H    2.608893   4.852771   7.369333   6.764704   4.051330
    33  H    3.274122   6.045989   8.219806   7.242850   5.439741
    34  H    2.628966   5.508426   7.377082   6.898494   4.913391
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.768019   0.000000
    23  H    3.032645   4.096676   0.000000
    24  H    4.004978   4.504015   1.759164   0.000000
    25  H    2.525041   3.230349   1.758593   1.759045   0.000000
    26  H    4.205314   3.144304   4.352208   3.708200   3.696210
    27  H    3.265238   2.470918   3.705432   3.061378   2.438166
    28  H    4.508389   3.992707   3.695373   2.440816   2.950514
    29  C    5.255529   4.413427   6.354203   6.889004   6.553455
    30  C    6.091018   5.452318   7.350206   8.112830   7.692378
    31  O    5.830335   4.706618   6.824565   7.066182   6.845831
    32  H    5.743447   5.192501   7.372202   8.274026   7.634176
    33  H    7.041711   6.237133   8.335490   8.989424   8.604527
    34  H    6.377660   5.995752   7.291579   8.162036   7.878388
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.759032   0.000000
    28  H    1.755742   1.758353   0.000000
    29  C    4.515705   5.576716   6.032978   0.000000
    30  C    5.993377   6.937116   7.472163   1.504800   0.000000
    31  O    4.175995   5.478106   5.811442   1.205113   2.410248
    32  H    6.307740   7.004535   7.764051   2.139704   1.090613
    33  H    6.570442   7.637402   8.140769   2.130585   1.086162
    34  H    6.433974   7.389015   7.767587   2.136704   1.090987
                   31         32         33         34
    31  O    0.000000
    32  H    3.119904   0.000000
    33  H    2.564447   1.784406   0.000000
    34  H    3.100264   1.758202   1.782460   0.000000
 Stoichiometry    C12H20O2
 Framework group  C1[X(C12H20O2)]
 Deg. of freedom    96
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.09D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.240639   -1.220521   -1.593952
      2          6           0       -0.772379   -1.711714   -0.196556
      3          6           0       -1.356487    0.301932   -1.398559
      4          6           0        0.077396    0.849484   -1.275021
      5          6           0        0.495406    0.398364    0.144405
      6          6           0       -0.704790   -0.420476    0.653009
      7          1           0       -2.195583   -1.663465   -1.875848
      8          1           0       -0.528201   -1.466626   -2.381766
      9          1           0        0.193323   -2.210778   -0.227221
     10          1           0       -1.481233   -2.413249    0.242895
     11          6           0       -1.888350    0.419572    0.056917
     12          1           0       -1.959508    0.805110   -2.154682
     13          1           0        0.128882    1.932113   -1.369936
     14          1           0        0.741881    0.427523   -2.028774
     15          1           0        0.689863    1.251037    0.790022
     16          8           0        1.689332   -0.414672    0.164040
     17          6           0       -0.691646   -0.656663    2.148773
     18          6           0       -3.263934   -0.215407    0.272245
     19          6           0       -1.976808    1.860613    0.570939
     20          1           0        0.188258   -1.234779    2.438218
     21          1           0       -1.573690   -1.214726    2.468040
     22          1           0       -0.666490    0.284659    2.701973
     23          1           0       -3.312198   -1.262484   -0.016360
     24          1           0       -4.016543    0.322861   -0.308315
     25          1           0       -3.555175   -0.148366    1.322428
     26          1           0       -1.062281    2.434735    0.442068
     27          1           0       -2.228382    1.873406    1.633417
     28          1           0       -2.771733    2.392658    0.043778
     29          6           0        2.862479    0.235712    0.052007
     30          6           0        4.017566   -0.727490    0.101407
     31          8           0        2.958317    1.430494   -0.072931
     32          1           0        3.985571   -1.302060    1.027842
     33          1           0        4.952347   -0.178454    0.034385
     34          1           0        3.942814   -1.436137   -0.724719
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.2924380           0.4724883           0.4648286
 Leave Link  202 at Fri Jul  9 21:12:27 2021, MaxMem= 17179869184 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       7      8      9     10     12     13     14     15     20     21
 Centers:      22     23     24     25     26     27     28     32     33     34
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6     11     17     18     19
 Centers:      29     30
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      16     31
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  42 primitive shells out of 552 were deleted.
 There are   530 symmetry adapted cartesian basis functions of A   symmetry.
 There are   502 symmetry adapted basis functions of A   symmetry.
   502 basis functions,   898 primitive gaussians,   530 cartesian basis functions
    54 alpha electrons       54 beta electrons
       nuclear repulsion energy      1014.9172554271 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   34 NActive=   34 NUniq=   34 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0670990541 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1014.8501563731 Hartrees.
 Leave Link  301 at Fri Jul  9 21:12:29 2021, MaxMem= 17179869184 cpu:              15.2 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   502 RedAO= T EigKep=  1.57D-06  NBF=   502
 NBsUse=   502 1.00D-06 EigRej= -1.00D+00 NBFU=   502
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   530   530   530   530   530 MxSgAt=    34 MxSgA2=    34.
 Leave Link  302 at Fri Jul  9 21:12:30 2021, MaxMem= 17179869184 cpu:               7.5 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul  9 21:12:30 2021, MaxMem= 17179869184 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "14_bornylOAc_STD_B3LYPDBJ-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul  9 21:12:31 2021, MaxMem= 17179869184 cpu:               9.2 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 17179869184 LenX= 17179295890 LenY= 17179014460
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -619.918620915796    
 DIIS: error= 1.57D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -619.918620915796     IErMin= 1 ErrMin= 1.57D-03
 ErrMax= 1.57D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.67D-03 BMatP= 6.67D-03
 IDIUse=3 WtCom= 9.84D-01 WtEn= 1.57D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.281 Goal=   None    Shift=    0.000
 GapD=    0.281 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=3.93D-02 MaxDP=5.87D+00              OVMax= 1.08D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.26D-02    CP:  1.71D+00
 E= -619.923770426725     Delta-E=       -0.005149510929 Rises=F Damp=F
 DIIS: error= 4.43D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -619.923770426725     IErMin= 2 ErrMin= 4.43D-04
 ErrMax= 4.43D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-04 BMatP= 6.67D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.43D-03
 Coeff-Com:  0.144D-01 0.986D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.143D-01 0.986D+00
 Gap=     0.267 Goal=   None    Shift=    0.000
 RMSDP=1.23D-03 MaxDP=2.12D-01 DE=-5.15D-03 OVMax= 4.24D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.90D-04    CP:  1.73D+00  1.03D+00
 E= -619.923635689769     Delta-E=        0.000134736957 Rises=F Damp=F
 DIIS: error= 7.31D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -619.923770426725     IErMin= 2 ErrMin= 4.43D-04
 ErrMax= 7.31D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.01D-04 BMatP= 1.17D-04
 IDIUse=3 WtCom= 2.70D-01 WtEn= 7.30D-01
 Coeff-Com: -0.746D-02 0.622D+00 0.385D+00
 Coeff-En:   0.000D+00 0.684D+00 0.316D+00
 Coeff:     -0.201D-02 0.667D+00 0.335D+00
 Gap=     0.264 Goal=   None    Shift=    0.000
 RMSDP=1.03D-04 MaxDP=1.03D-02 DE= 1.35D-04 OVMax= 2.48D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.34D-05    CP:  1.73D+00  1.03D+00  9.32D-01
 E= -619.923860882430     Delta-E=       -0.000225192661 Rises=F Damp=F
 DIIS: error= 5.63D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -619.923860882430     IErMin= 4 ErrMin= 5.63D-05
 ErrMax= 5.63D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.50D-06 BMatP= 1.17D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.445D-02 0.275D+00 0.118D+00 0.611D+00
 Coeff:     -0.445D-02 0.275D+00 0.118D+00 0.611D+00
 Gap=     0.264 Goal=   None    Shift=    0.000
 RMSDP=4.68D-05 MaxDP=6.67D-03 DE=-2.25D-04 OVMax= 5.09D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.68D-05    CP:  1.73D+00  1.03D+00  9.32D-01  1.22D+00
 E= -619.923863610479     Delta-E=       -0.000002728049 Rises=F Damp=F
 DIIS: error= 2.81D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -619.923863610479     IErMin= 5 ErrMin= 2.81D-05
 ErrMax= 2.81D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.37D-06 BMatP= 4.50D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.139D-02 0.489D-01-0.209D-02 0.427D+00 0.528D+00
 Coeff:     -0.139D-02 0.489D-01-0.209D-02 0.427D+00 0.528D+00
 Gap=     0.264 Goal=   None    Shift=    0.000
 RMSDP=1.10D-05 MaxDP=1.84D-03 DE=-2.73D-06 OVMax= 2.67D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.42D-06    CP:  1.73D+00  1.03D+00  9.39D-01  1.22D+00  8.96D-01
 E= -619.923864553969     Delta-E=       -0.000000943491 Rises=F Damp=F
 DIIS: error= 7.06D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -619.923864553969     IErMin= 6 ErrMin= 7.06D-06
 ErrMax= 7.06D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.34D-08 BMatP= 1.37D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.408D-03 0.456D-02-0.107D-01 0.200D+00 0.311D+00 0.495D+00
 Coeff:     -0.408D-03 0.456D-02-0.107D-01 0.200D+00 0.311D+00 0.495D+00
 Gap=     0.264 Goal=   None    Shift=    0.000
 RMSDP=4.04D-06 MaxDP=3.52D-04 DE=-9.43D-07 OVMax= 5.55D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.59D-06    CP:  1.73D+00  1.03D+00  9.41D-01  1.20D+00  8.33D-01
                    CP:  9.98D-01
 E= -619.923864637885     Delta-E=       -0.000000083916 Rises=F Damp=F
 DIIS: error= 6.53D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -619.923864637885     IErMin= 7 ErrMin= 6.53D-07
 ErrMax= 6.53D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-09 BMatP= 9.34D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.463D-04-0.126D-02-0.230D-02 0.328D-01 0.559D-01 0.143D+00
 Coeff-Com:  0.772D+00
 Coeff:     -0.463D-04-0.126D-02-0.230D-02 0.328D-01 0.559D-01 0.143D+00
 Coeff:      0.772D+00
 Gap=     0.264 Goal=   None    Shift=    0.000
 RMSDP=7.38D-07 MaxDP=3.97D-05 DE=-8.39D-08 OVMax= 5.57D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  5.97D-07    CP:  1.73D+00  1.03D+00  9.42D-01  1.20D+00  8.48D-01
                    CP:  1.02D+00  9.65D-01
 E= -619.923864638736     Delta-E=       -0.000000000851 Rises=F Damp=F
 DIIS: error= 3.97D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -619.923864638736     IErMin= 8 ErrMin= 3.97D-07
 ErrMax= 3.97D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.84D-10 BMatP= 1.15D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.296D-05-0.784D-03-0.553D-03 0.610D-02 0.108D-01 0.451D-01
 Coeff-Com:  0.368D+00 0.571D+00
 Coeff:     -0.296D-05-0.784D-03-0.553D-03 0.610D-02 0.108D-01 0.451D-01
 Coeff:      0.368D+00 0.571D+00
 Gap=     0.264 Goal=   None    Shift=    0.000
 RMSDP=2.38D-07 MaxDP=1.85D-05 DE=-8.51D-10 OVMax= 2.30D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.87D-07    CP:  1.73D+00  1.03D+00  9.42D-01  1.20D+00  8.48D-01
                    CP:  1.02D+00  9.61D-01  8.20D-01
 E= -619.923864638875     Delta-E=       -0.000000000139 Rises=F Damp=F
 DIIS: error= 9.92D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -619.923864638875     IErMin= 9 ErrMin= 9.92D-08
 ErrMax= 9.92D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.86D-11 BMatP= 1.84D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.367D-05-0.213D-03 0.225D-04-0.979D-03-0.189D-02 0.533D-02
 Coeff-Com:  0.904D-01 0.281D+00 0.626D+00
 Coeff:      0.367D-05-0.213D-03 0.225D-04-0.979D-03-0.189D-02 0.533D-02
 Coeff:      0.904D-01 0.281D+00 0.626D+00
 Gap=     0.264 Goal=   None    Shift=    0.000
 RMSDP=7.98D-08 MaxDP=6.79D-06 DE=-1.39D-10 OVMax= 7.12D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  5.09D-08    CP:  1.73D+00  1.03D+00  9.42D-01  1.20D+00  8.48D-01
                    CP:  1.02D+00  9.62D-01  8.61D-01  8.34D-01
 E= -619.923864638966     Delta-E=       -0.000000000091 Rises=F Damp=F
 DIIS: error= 2.48D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -619.923864638966     IErMin=10 ErrMin= 2.48D-08
 ErrMax= 2.48D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.70D-13 BMatP= 1.86D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.195D-05-0.770D-04 0.230D-04-0.630D-03-0.121D-02 0.995D-03
 Coeff-Com:  0.283D-01 0.108D+00 0.299D+00 0.566D+00
 Coeff:      0.195D-05-0.770D-04 0.230D-04-0.630D-03-0.121D-02 0.995D-03
 Coeff:      0.283D-01 0.108D+00 0.299D+00 0.566D+00
 Gap=     0.264 Goal=   None    Shift=    0.000
 RMSDP=1.66D-08 MaxDP=1.75D-06 DE=-9.07D-11 OVMax= 1.79D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.33D-08    CP:  1.73D+00  1.03D+00  9.42D-01  1.20D+00  8.48D-01
                    CP:  1.02D+00  9.63D-01  8.61D-01  8.56D-01  8.88D-01
 E= -619.923864638841     Delta-E=        0.000000000125 Rises=F Damp=F
 DIIS: error= 9.49D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -619.923864638966     IErMin=11 ErrMin= 9.49D-09
 ErrMax= 9.49D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.35D-14 BMatP= 9.70D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.468D-06-0.993D-05 0.112D-04-0.219D-03-0.444D-03-0.213D-03
 Coeff-Com:  0.314D-02 0.197D-01 0.754D-01 0.268D+00 0.635D+00
 Coeff:      0.468D-06-0.993D-05 0.112D-04-0.219D-03-0.444D-03-0.213D-03
 Coeff:      0.314D-02 0.197D-01 0.754D-01 0.268D+00 0.635D+00
 Gap=     0.264 Goal=   None    Shift=    0.000
 RMSDP=4.75D-09 MaxDP=3.86D-07 DE= 1.25D-10 OVMax= 5.88D-08

 SCF Done:  E(RB3LYP) =  -619.923864639     A.U. after   11 cycles
            NFock= 11  Conv=0.48D-08     -V/T= 2.0060
 KE= 6.162335094267D+02 PE=-3.471285899432D+03 EE= 1.220278368993D+03
 Leave Link  502 at Fri Jul  9 21:17:23 2021, MaxMem= 17179869184 cpu:            3493.4 elap:             291.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   502
 NBasis=   502 NAE=    54 NBE=    54 NFC=     0 NFV=     0
 NROrb=    502 NOA=    54 NOB=    54 NVA=   448 NVB=   448

 **** Warning!!: The largest alpha MO coefficient is  0.15008738D+03

 Leave Link  801 at Fri Jul  9 21:17:23 2021, MaxMem= 17179869184 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10525 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   17179869184 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          34
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.03D-13 8.33D-09 XBig12= 1.00D+00 1.75D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.03D-13 8.33D-09 XBig12= 3.69D-01 7.63D-02.
     11 vectors produced by pass  2 Test12= 4.03D-13 8.33D-09 XBig12= 8.89D-02 2.44D-02.
     11 vectors produced by pass  3 Test12= 4.03D-13 8.33D-09 XBig12= 5.30D-03 6.77D-03.
     11 vectors produced by pass  4 Test12= 4.03D-13 8.33D-09 XBig12= 6.35D-04 2.90D-03.
     11 vectors produced by pass  5 Test12= 4.03D-13 8.33D-09 XBig12= 7.90D-05 8.50D-04.
     11 vectors produced by pass  6 Test12= 4.03D-13 8.33D-09 XBig12= 5.13D-06 2.06D-04.
     11 vectors produced by pass  7 Test12= 4.03D-13 8.33D-09 XBig12= 1.14D-07 4.13D-05.
     11 vectors produced by pass  8 Test12= 4.03D-13 8.33D-09 XBig12= 1.68D-09 6.46D-06.
     10 vectors produced by pass  9 Test12= 4.03D-13 8.33D-09 XBig12= 3.72D-11 5.93D-07.
      7 vectors produced by pass 10 Test12= 4.03D-13 8.33D-09 XBig12= 5.91D-13 7.33D-08.
      3 vectors produced by pass 11 Test12= 4.03D-13 8.33D-09 XBig12= 4.82D-14 1.79D-08.
      1 vectors produced by pass 12 Test12= 4.03D-13 8.33D-09 XBig12= 3.29D-14 1.45D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   120 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.168368D+03
      2 -0.250089D+01  0.140892D+03
      3 -0.742284D+00 -0.433706D+00  0.134918D+03
 Isotropic polarizability for W=    0.085645      148.06 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.406283D+01  0.250939D+01 -0.386137D+00
      2   0.750819D+01  0.570385D+01 -0.116977D+02
      3  -0.344536D+01 -0.821324D+01  0.120839D+02
      4  -0.132114D+02 -0.522700D+02 -0.138376D+02
      5   0.721517D+01 -0.128081D+02 -0.106233D+03
      6  -0.555487D+01  0.120705D+01 -0.342393D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.268328D+00  0.667321D+00  0.841057D+01
      2  -0.218207D+00 -0.468122D+01 -0.506284D+02
      3  -0.322654D+01  0.232248D+02  0.367225D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.102948D+01  0.129048D+02  0.260261D+02
      2  -0.760131D+01 -0.828273D+01 -0.102788D+03
      3  -0.157208D+02  0.597782D+02  0.725325D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.247115D+00  0.550655D+00 -0.784415D-02
      2   0.550655D+00 -0.368721D+00  0.147470D+01
      3  -0.784415D-02  0.147470D+01 -0.661462D+00
 OR G Eigenvalues:    -2.0764    -0.2932     1.0923  Iso=     0.4258
 Eigenvectors:
   (1)   0.206761  -0.676805   0.706530
   (2)   0.932185  -0.083027  -0.352331
   (3)   0.297120   0.731465   0.613741
 w=    0.085645 a.u., Optical Rotation Beta=      0.4258 au.
 Molar Mass =    196.2888 grams/mole, [Alpha] ( 5320.0 A) =      102.87 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  126253 ScalPx= 3.36D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  126253 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.97D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.72D-14 2.78D-09 XBig12= 1.00D+00 2.89D-01.
     30 vectors produced by pass  1 Test12= 6.72D-14 2.78D-09 XBig12= 3.04D-02 2.02D-02.
     30 vectors produced by pass  2 Test12= 6.72D-14 2.78D-09 XBig12= 1.53D-03 5.03D-03.
     30 vectors produced by pass  3 Test12= 6.72D-14 2.78D-09 XBig12= 3.40D-05 5.36D-04.
     30 vectors produced by pass  4 Test12= 6.72D-14 2.78D-09 XBig12= 6.18D-07 6.30D-05.
     30 vectors produced by pass  5 Test12= 6.72D-14 2.78D-09 XBig12= 4.06D-09 4.60D-06.
     30 vectors produced by pass  6 Test12= 6.72D-14 2.78D-09 XBig12= 1.91D-11 2.78D-07.
     26 vectors produced by pass  7 Test12= 6.72D-14 2.78D-09 XBig12= 8.72D-14 1.73D-08.
     11 vectors produced by pass  8 Test12= 6.72D-14 2.78D-09 XBig12= 9.89D-15 9.15D-09.
      3 vectors produced by pass  9 Test12= 6.72D-14 2.78D-09 XBig12= 2.11D-15 3.57D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   250 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  126253 ScalPx= 1.21D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  126253 ScalPx= 1.21D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  126253 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.15D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.168368D+03 -0.250089D+01 -0.742284D+00
      2  -0.250089D+01  0.140892D+03 -0.433706D+00
      3  -0.742284D+00 -0.433706D+00  0.134918D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.268328D+00  0.667321D+00  0.841057D+01
      2  -0.218207D+00 -0.468122D+01 -0.506284D+02
      3  -0.322654D+01  0.232248D+02  0.367225D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.406283D+01  0.250939D+01 -0.386137D+00
      2   0.750819D+01  0.570385D+01 -0.116977D+02
      3  -0.344536D+01 -0.821324D+01  0.120839D+02
      4  -0.132114D+02 -0.522700D+02 -0.138376D+02
      5   0.721517D+01 -0.128081D+02 -0.106233D+03
      6  -0.555487D+01  0.120705D+01 -0.342393D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   102 ND12= 1 LenFil=    3675:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.291983D+01  0.323648D+01  0.363953D+01  0.237175D+01  0.811972D+00
      2   0.323648D+01  0.895888D+00  0.209548D+00  0.811972D+00 -0.325736D+01
      3   0.363953D+01  0.209548D+00 -0.380899D+01  0.691900D+00  0.106859D+00
                 6             7             8             9            10 
      1   0.691900D+00  0.187964D+01  0.521512D+00 -0.320215D+01 -0.267700D+01
      2   0.106859D+00  0.521512D+00 -0.475255D-01  0.302948D+01  0.436401D+01
      3   0.252319D+01 -0.320215D+01  0.302948D+01  0.581998D+00 -0.135629D+01
                11            12            13            14            15 
      1   0.436401D+01 -0.135629D+01  0.344317D+01  0.507494D-01 -0.152253D+01
      2  -0.116006D+00 -0.148205D+01  0.507494D-01  0.357033D+00 -0.335233D+01
      3  -0.148205D+01  0.213386D+01 -0.152253D+01 -0.335233D+01 -0.326159D+01
                16            17            18            19            20 
      1  -0.771501D+00 -0.174131D+01  0.143440D+01 -0.101616D+01 -0.382692D+01
      2  -0.174131D+01 -0.291946D+01 -0.148498D+01 -0.382692D+01  0.522836D+00
      3   0.143440D+01 -0.148498D+01  0.207800D+01  0.544754D+00 -0.130598D+01
                21            22            23            24            25 
      1   0.544754D+00 -0.425894D+01  0.509035D+00 -0.165894D+01 -0.726185D+00
      2  -0.130598D+01  0.509035D+00  0.380909D+01  0.249880D+01 -0.125557D+01
      3   0.505121D+01 -0.165894D+01  0.249880D+01 -0.242285D+01  0.641570D+01
                26            27            28            29            30 
      1  -0.125557D+01  0.641570D+01  0.777479D+00  0.187749D+01  0.163621D+01
      2   0.714936D+00 -0.378274D+01  0.187749D+01 -0.190821D+00  0.128856D+00
      3  -0.378274D+01 -0.146854D+01  0.163621D+01  0.128856D+00 -0.355231D+01
                31            32            33            34            35 
      1   0.291515D+01 -0.100791D+01 -0.256736D+00 -0.240185D+00  0.426721D+00
      2  -0.100791D+01 -0.520263D+01  0.128432D+01  0.426721D+00  0.390712D+00
      3  -0.256736D+00  0.128432D+01  0.248443D+01 -0.399321D+01  0.184172D+01
                36            37            38            39            40 
      1  -0.399321D+01 -0.571833D+01  0.157700D+01 -0.145893D+01  0.235446D+01
      2   0.184172D+01  0.157700D+01  0.102386D+01 -0.130540D+01 -0.267883D+00
      3  -0.411618D+00 -0.145893D+01 -0.130540D+01  0.359968D+01 -0.115286D+01
                41            42            43            44            45 
      1  -0.267883D+00 -0.115286D+01  0.827110D+00 -0.777581D+00  0.134291D+01
      2  -0.878802D+00 -0.248154D+01 -0.777581D+00 -0.165268D+01 -0.181033D+01
      3  -0.248154D+01 -0.286045D+01  0.134291D+01 -0.181033D+01  0.167145D+01
                46            47            48            49            50 
      1   0.269681D+01 -0.499559D+01  0.336331D+01 -0.694836D+01  0.113112D+01
      2  -0.499559D+01  0.148764D+01  0.563653D+00  0.113112D+01  0.397333D+00
      3   0.336331D+01  0.563653D+00  0.837102D+00  0.484336D+00  0.406783D+01
                51            52            53            54            55 
      1   0.484336D+00  0.403550D+01 -0.305722D+00 -0.954945D-02 -0.578742D+01
      2   0.406783D+01 -0.305722D+00  0.486000D+01  0.194128D+01 -0.282110D+01
      3   0.146380D+01 -0.954945D-02  0.194128D+01 -0.418602D+01 -0.283241D+01
                56            57            58            59            60 
      1  -0.282110D+01 -0.283241D+01 -0.220987D+01 -0.200029D+01 -0.118979D+01
      2  -0.260047D+01 -0.166156D+01 -0.200029D+01 -0.204388D+01 -0.129758D+01
      3  -0.166156D+01 -0.242534D+01 -0.118979D+01 -0.129758D+01 -0.146086D+01
                61            62            63            64            65 
      1  -0.164689D+01 -0.101184D+01 -0.149630D+01  0.193477D+01 -0.127419D+01
      2  -0.101184D+01 -0.920576D+00 -0.133368D+01 -0.127419D+01  0.143413D+01
      3  -0.149630D+01 -0.133368D+01 -0.198664D+01 -0.255502D+01  0.144149D+01
                66            67            68            69            70 
      1  -0.255502D+01 -0.645252D+00  0.635293D+00  0.381249D+00 -0.177967D+01
      2   0.144149D+01  0.635293D+00 -0.109073D+01 -0.143648D+01  0.657667D+00
      3   0.400167D+01  0.381249D+00 -0.143648D+01 -0.163526D+01  0.222225D+01
                71            72            73            74            75 
      1   0.657667D+00  0.222225D+01  0.551934D+01 -0.299155D+01  0.288334D+00
      2  -0.171911D+01 -0.243558D+01 -0.299155D+01  0.357035D+01  0.269685D+00
      3  -0.243558D+01 -0.640905D+01  0.288334D+00  0.269685D+00  0.839547D+00
                76            77            78            79            80 
      1  -0.212531D+01  0.217672D+01  0.215174D+00  0.124629D+00  0.209165D+00
      2   0.217672D+01 -0.327660D+01  0.231431D+00  0.209165D+00  0.246018D+00
      3   0.215174D+00  0.231431D+00 -0.326857D+00  0.601492D+00 -0.598207D+00
                81            82            83            84            85 
      1   0.601492D+00 -0.249448D+01 -0.240611D+01  0.925716D+00 -0.208772D+01
      2  -0.598207D+00 -0.240611D+01 -0.314334D+01  0.101315D+01 -0.220920D+01
      3  -0.136995D+00  0.925716D+00  0.101315D+01 -0.141986D+01  0.668697D+00
                86            87            88            89            90 
      1  -0.220920D+01  0.668697D+00  0.101609D+01  0.111063D+01 -0.102674D+01
      2  -0.519056D+01  0.170592D+01  0.111063D+01  0.238991D+01 -0.131530D+01
      3   0.170592D+01 -0.107620D+01 -0.102674D+01 -0.131530D+01  0.123300D+01
                91            92            93            94            95 
      1  -0.166357D+01  0.621204D+01 -0.246511D+01  0.754569D+01 -0.606767D+00
      2   0.621204D+01 -0.186110D+01  0.105451D+01 -0.606767D+00 -0.396002D+01
      3  -0.246511D+01  0.105451D+01 -0.532175D+01  0.127426D+01 -0.391726D+01
                96            97            98            99           100 
      1   0.127426D+01 -0.171127D+01  0.790212D+00 -0.447034D+01 -0.338468D+01
      2  -0.391726D+01  0.790212D+00 -0.320379D+01  0.111473D+01  0.188727D+01
      3   0.176879D+01 -0.447034D+01  0.111473D+01  0.507796D+01 -0.292660D+01
               101           102           103           104           105 
      1   0.188727D+01 -0.292660D+01  0.207265D+01 -0.147705D+01  0.143332D+01
      2  -0.142734D+01  0.141538D+01 -0.147705D+01  0.195624D+01 -0.238366D+01
      3   0.141538D+01 -0.354877D+01  0.143332D+01 -0.238366D+01  0.267034D+01
               106           107           108           109           110 
      1  -0.214013D+01  0.939842D+00 -0.315025D+01  0.354473D+00  0.896775D+00
      2   0.939842D+00 -0.176349D+01  0.231301D+01  0.896775D+00  0.419655D+00
      3  -0.315025D+01  0.231301D+01 -0.576029D+01 -0.261713D+00 -0.152846D+00
               111           112           113           114           115 
      1  -0.261713D+00  0.150214D+01  0.940449D+00 -0.250010D+00  0.249234D-01
      2  -0.152846D+00  0.940449D+00  0.804304D+01 -0.217046D+01 -0.168477D+00
      3   0.286341D+00 -0.250010D+00 -0.217046D+01  0.172956D+01  0.413685D+00
               116           117           118           119           120 
      1  -0.168477D+00  0.413685D+00  0.348126D+01 -0.491557D+00 -0.234969D+01
      2  -0.109995D+01  0.111321D+01 -0.491557D+00  0.525300D+00  0.127457D+00
      3   0.111321D+01 -0.848321D+00 -0.234969D+01  0.127457D+00  0.292221D+01
               121           122           123           124           125 
      1  -0.178885D+01  0.571062D+00  0.912518D+00 -0.288635D+01  0.567567D-01
      2   0.571062D+00 -0.301437D-01 -0.979322D+00  0.567567D-01 -0.916383D+00
      3   0.912518D+00 -0.979322D+00 -0.176327D+01  0.270843D+01 -0.424539D+00
               126           127           128           129           130 
      1   0.270843D+01  0.211252D+01  0.831237D+00  0.101153D+01  0.255082D+01
      2  -0.424539D+00  0.831237D+00  0.189455D+00  0.332628D+00  0.793398D-01
      3  -0.472977D+01  0.101153D+01  0.332628D+00  0.286423D+00  0.432651D+00
               131           132           133           134           135 
      1   0.793398D-01  0.432651D+00  0.139702D+01  0.429905D+00  0.193605D+00
      2   0.317577D+01  0.179368D+01  0.429905D+00  0.187882D+01  0.168411D+01
      3   0.179368D+01  0.220990D+01  0.193605D+00  0.168411D+01  0.241718D+01
               136           137           138           139           140 
      1  -0.606548D+00 -0.239335D+01  0.578675D+00 -0.568726D+01  0.277155D+00
      2  -0.239335D+01 -0.137211D+01 -0.169117D+00  0.277155D+00 -0.178472D+01
      3   0.578675D+00 -0.169117D+00 -0.200671D+01  0.504341D-01  0.603102D+00
               141           142           143           144           145 
      1   0.504341D-01  0.549380D+00 -0.184136D+00 -0.563808D+00 -0.218194D+00
      2   0.603102D+00 -0.184136D+00  0.154695D+00 -0.632535D+00  0.474194D+01
      3  -0.289837D+00 -0.563808D+00 -0.632535D+00  0.402578D+00 -0.365289D+01
               146           147           148           149           150 
      1   0.474194D+01 -0.365289D+01  0.481166D+01 -0.304243D+00 -0.262995D+00
      2  -0.308776D+00 -0.189785D+00 -0.304243D+00 -0.130054D+01 -0.448370D+01
      3  -0.189785D+00 -0.315082D+00 -0.262995D+00 -0.448370D+01 -0.183448D+01
               151           152           153           154           155 
      1  -0.299133D+01 -0.102691D-01  0.459352D-01  0.123290D-01 -0.413717D+01
      2  -0.102691D-01 -0.337443D+01 -0.177082D+01 -0.413717D+01  0.400728D+00
      3   0.459352D-01 -0.177082D+01  0.286157D+01  0.217081D+01 -0.755011D+00
               156           157           158           159           160 
      1   0.217081D+01 -0.510790D+01  0.121250D+01 -0.899791D+00  0.248036D+01
      2  -0.755011D+00  0.121250D+01  0.449485D+01  0.233989D+01 -0.891466D+00
      3   0.301234D+01 -0.899791D+00  0.233989D+01 -0.854694D+00  0.446808D+01
               161           162           163           164           165 
      1  -0.891466D+00  0.446808D+01 -0.209979D+00 -0.545347D+01  0.163436D+01
      2   0.246028D+01 -0.634700D+00 -0.545347D+01  0.446325D+00 -0.995318D+00
      3  -0.634700D+00 -0.481309D+01  0.163436D+01 -0.995318D+00  0.248343D+01
               166           167           168           169           170 
      1  -0.485816D+01 -0.686457D-01 -0.116292D+01  0.204249D+01 -0.119536D+01
      2  -0.686457D-01  0.241208D+01  0.294870D+01 -0.119536D+01  0.317677D+01
      3  -0.116292D+01  0.294870D+01 -0.300368D+00  0.310777D+01 -0.153393D+01
               171           172           173           174           175 
      1   0.310777D+01  0.458213D+01 -0.242419D+01  0.253504D+01 -0.251779D+01
      2  -0.153393D+01 -0.242419D+01  0.204034D+01 -0.150130D+01  0.173267D+01
      3  -0.560944D+01  0.253504D+01 -0.150130D+01  0.311000D+01 -0.120038D+01
               176           177           178           179           180 
      1   0.173267D+01 -0.120038D+01  0.128454D+01 -0.712070D+00  0.162071D+01
      2  -0.227666D+01  0.208092D+01 -0.712070D+00  0.104403D+01 -0.991520D+00
      3   0.208092D+01 -0.185356D+01  0.162071D+01 -0.991520D+00  0.175897D+01
               181           182           183           184           185 
      1  -0.419542D+01 -0.229769D+01  0.239707D+01 -0.236927D+01 -0.160503D+01
      2  -0.229769D+01 -0.189738D+01  0.143503D+01 -0.160503D+01 -0.216458D+01
      3   0.239707D+01  0.143503D+01 -0.305812D+01  0.115785D+01  0.196668D+01
               186           187           188           189           190 
      1   0.115785D+01  0.153929D+01  0.766452D+00 -0.164569D+01  0.173846D+00
      2   0.196668D+01  0.766452D+00  0.106374D+01 -0.954925D+00  0.192779D+00
      3  -0.193584D+01 -0.164569D+01 -0.954925D+00  0.195303D+01  0.105690D+01
               191           192           193           194           195 
      1   0.192779D+00  0.105690D+01  0.672704D+00  0.759299D-01  0.230099D+00
      2   0.123103D+00  0.144309D+00  0.759299D-01  0.393589D+01  0.282403D+01
      3   0.144309D+00  0.260164D+00  0.230099D+00  0.282403D+01  0.459388D+01
               196           197           198           199           200 
      1   0.784230D+00  0.576125D-01  0.702989D-01 -0.380376D+00 -0.936627D+00
      2   0.576125D-01  0.199066D+01  0.224086D+01 -0.936627D+00 -0.856561D+00
      3   0.702989D-01  0.224086D+01  0.399038D+01 -0.582033D+00 -0.376873D-02
               201           202           203           204           205 
      1  -0.582033D+00 -0.235608D+01 -0.175635D+01  0.795776D-01 -0.108536D+01
      2  -0.376873D-02 -0.175635D+01 -0.613528D+01 -0.112020D+01 -0.128786D+00
      3  -0.301216D+00  0.795776D-01 -0.112020D+01 -0.105871D+01 -0.588953D+00
               206           207           208           209           210 
      1  -0.128786D+00 -0.588953D+00 -0.735610D+01  0.194888D+01 -0.208643D+01
      2  -0.123120D+01 -0.858684D+00  0.194888D+01 -0.117998D+01  0.536531D+00
      3  -0.858684D+00 -0.206944D+00 -0.208643D+01  0.536531D+00 -0.150889D+01
               211           212           213           214           215 
      1   0.423871D+01 -0.191801D+01  0.960015D+00 -0.420651D+01  0.976915D+00
      2  -0.191801D+01  0.123230D+01 -0.902055D+00  0.976915D+00 -0.112769D+01
      3   0.960015D+00 -0.902055D+00  0.100845D+01 -0.249453D+01  0.731029D+00
               216           217           218           219           220 
      1  -0.249453D+01 -0.234759D+01  0.224481D+00  0.169265D+01  0.792050D+00
      2   0.731029D+00  0.224481D+00 -0.345091D+00  0.127612D+00 -0.724940D+00
      3  -0.130589D+01  0.169265D+01  0.127612D+00 -0.188142D+01 -0.754594D-01
               221           222           223           224           225 
      1  -0.724940D+00 -0.754594D-01  0.381724D+01  0.262514D+00 -0.369556D+01
      2  -0.292088D+00  0.640926D+00  0.262514D+00  0.823667D+00 -0.563156D-01
      3   0.640926D+00  0.304041D+00 -0.369556D+01 -0.563156D-01  0.663103D+01
               226           227           228           229           230 
      1   0.426094D+01  0.192529D+01 -0.508605D+00  0.204833D+01  0.183446D+01
      2   0.192529D+01  0.311409D+01  0.396989D+00  0.183446D+01  0.340196D+01
      3  -0.508605D+00  0.396989D+00  0.682059D+00  0.101237D+00 -0.159534D+00
               231           232           233           234           235 
      1   0.101237D+00 -0.620700D+00  0.173148D+00  0.341951D+00 -0.116490D+01
      2  -0.159534D+00  0.173148D+00 -0.636124D+00  0.624810D+00  0.103187D+01
      3   0.554710D+00  0.341951D+00  0.624810D+00  0.348446D+00  0.118946D+01
               236           237           238           239           240 
      1   0.103187D+01  0.118946D+01  0.365329D+00 -0.292041D+00 -0.260696D-01
      2  -0.635646D+00 -0.417795D+00 -0.292041D+00  0.402975D+00  0.814542D+00
      3  -0.417795D+00 -0.159579D+01 -0.260696D-01  0.814542D+00  0.484861D+00
               241           242           243           244           245 
      1   0.162808D+01 -0.877619D+00 -0.227340D+01 -0.494177D+01  0.383242D+01
      2  -0.877619D+00  0.217844D+01  0.232978D+01  0.383242D+01 -0.373467D+01
      3  -0.227340D+01  0.232978D+01  0.756026D+01 -0.119984D+01  0.782844D+00
               246           247           248           249           250 
      1  -0.119984D+01  0.269267D+01 -0.262898D+01  0.705590D+00 -0.236083D+01
      2   0.782844D+00 -0.262898D+01  0.383506D+01 -0.116149D+01  0.177681D+01
      3  -0.131376D+01  0.705590D+00 -0.116149D+01  0.661721D+00 -0.153229D+01
               251           252           253           254           255 
      1   0.177681D+01 -0.153229D+01  0.485077D+01  0.272370D+01 -0.458029D+00
      2  -0.270552D+01  0.135892D+01  0.272370D+01  0.675619D+00 -0.936111D-01
      3   0.135892D+01 -0.778632D+00 -0.458029D+00 -0.936111D-01  0.914812D+00
               256           257           258           259           260 
      1  -0.874532D+00 -0.228532D+01 -0.182772D+00 -0.232423D+00  0.211984D+00
      2  -0.228532D+01 -0.506222D+01  0.297573D+00  0.211984D+00  0.463655D+00
      3  -0.182772D+00  0.297573D+00 -0.439406D+00  0.102771D+01 -0.844627D+00
               261           262           263           264           265 
      1   0.102771D+01 -0.183818D+01 -0.467734D+01  0.382390D+00 -0.625914D+01
      2  -0.844627D+00 -0.467734D+01  0.349754D+00  0.194752D+00 -0.124359D+01
      3   0.438186D+00  0.382390D+00  0.194752D+00  0.432463D+00  0.190247D+00
               266           267           268           269           270 
      1  -0.124359D+01  0.190247D+00  0.717561D+00  0.233943D+00 -0.120047D+01
      2   0.312558D+01  0.427158D+00  0.233943D+00  0.586024D+00  0.473663D+01
      3   0.427158D+00  0.405442D+01 -0.120047D+01  0.473663D+01 -0.110990D+01
               271           272           273           274           275 
      1   0.119526D+01  0.205506D+01 -0.253951D+00  0.866760D+01  0.354633D+01
      2   0.205506D+01  0.127917D+01  0.124148D-01  0.354633D+01  0.102732D+02
      3  -0.253951D+00  0.124148D-01  0.262317D-01  0.147965D+00 -0.475006D+00
               276           277           278           279           280 
      1   0.147965D+00 -0.499631D+00 -0.142530D+00  0.114189D+01  0.102278D+01
      2  -0.475006D+00 -0.142530D+00 -0.621216D+00  0.245670D+01 -0.113188D+00
      3   0.178465D+01  0.114189D+01  0.245670D+01 -0.628701D+00  0.823370D+00
               281           282           283           284           285 
      1  -0.113188D+00  0.823370D+00 -0.161427D+01  0.151381D+01 -0.624969D+00
      2  -0.392540D-01 -0.945486D-01  0.151381D+01 -0.357330D+01  0.190788D+01
      3  -0.945486D-01  0.141956D+00 -0.624969D+00  0.190788D+01 -0.263050D+01
               286           287           288           289           290 
      1   0.278189D+01 -0.124557D+01  0.168652D+01  0.929497D+01  0.185046D+01
      2  -0.124557D+01  0.270783D+01 -0.300808D+01  0.185046D+01  0.139404D+01
      3   0.168652D+01 -0.300808D+01  0.501153D+01 -0.223524D+00 -0.582996D-01
               291           292           293           294           295 
      1  -0.223524D+00  0.456331D+01  0.163594D+01 -0.721678D-01 -0.554699D+00
      2  -0.582996D-01  0.163594D+01  0.129544D+01 -0.116615D+00 -0.503754D-01
      3   0.106907D+01 -0.721678D-01 -0.116615D+00  0.329799D+00  0.124940D+01
               296           297           298           299           300 
      1  -0.503754D-01  0.124940D+01  0.811179D+00 -0.169149D+00 -0.699017D+00
      2  -0.175363D+00 -0.130324D+00 -0.169149D+00 -0.183723D+00 -0.459301D-03
      3  -0.130324D+00 -0.528507D-01 -0.699017D+00 -0.459301D-03 -0.325694D-01
               301           302           303           304           305 
      1  -0.189953D+01  0.166172D+01  0.421262D+00 -0.247629D+01  0.109689D+01
      2   0.166172D+01 -0.462771D+01 -0.210304D+01  0.109689D+01 -0.301567D+01
      3   0.421262D+00 -0.210304D+01 -0.262182D+01  0.125050D+01 -0.291447D+01
               306 
      1   0.125050D+01
      2  -0.291447D+01
      3  -0.357288D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.330385D+01 -0.144398D+01 -0.698896D+01 -0.171554D+01  0.103109D+02
      2   0.243403D+01  0.839707D+01  0.174890D+02  0.606396D+01  0.177323D+01
      3  -0.294083D+00 -0.640255D+01 -0.601578D+01 -0.189945D+01 -0.808111D+01
                 6             7             8             9            10 
      1   0.331349D+01 -0.622944D+01  0.812670D+01 -0.899580D+01 -0.943567D+00
      2  -0.161281D+01  0.823575D+01 -0.371261D+01 -0.974060D+01  0.179744D+01
      3   0.146704D+00 -0.269098D+01 -0.812636D+00  0.990441D+01  0.868140D+01
                11            12            13            14            15 
      1  -0.503167D+01  0.575101D+01 -0.517167D+01 -0.833257D+01 -0.105235D+02
      2  -0.703103D+00  0.259758D+01 -0.209930D+00  0.207437D+01  0.258928D+01
      3  -0.140303D+02  0.129702D+01 -0.836342D+01  0.198896D+00  0.299427D+01
                16            17            18            19            20 
      1   0.394437D+01 -0.291512D+01  0.739957D+01  0.699018D+01  0.290696D+00
      2  -0.183118D+01  0.131766D+01 -0.462560D+00 -0.680986D+01 -0.370853D+01
      3  -0.172336D+00  0.243554D+01 -0.546480D+01 -0.817233D+01 -0.407024D+01
                21            22            23            24            25 
      1   0.500175D+00  0.200065D+01 -0.102915D+02 -0.548460D+01 -0.915183D-01
      2  -0.478509D+01 -0.427959D+01 -0.324486D+01  0.143961D+01 -0.142656D+02
      3  -0.293460D+01  0.220017D+01  0.655098D+01  0.197291D+01 -0.232766D+01
                26            27            28            29            30 
      1   0.117615D+01  0.720522D+01 -0.815192D+01 -0.121122D+00  0.446358D+01
      2   0.358100D+01  0.133370D+02  0.428944D+01  0.380898D+01  0.463714D+01
      3   0.689028D+00 -0.331143D+01  0.295169D+01  0.203978D+01  0.449307D+01
                31            32            33            34            35 
      1  -0.455531D+00  0.104666D+02 -0.829386D+01  0.611232D+01 -0.118624D+01
      2   0.739871D+01 -0.161918D+01 -0.572165D+00 -0.871094D+00 -0.966806D-01
      3   0.855715D+01  0.305068D+01 -0.153126D+01  0.439506D+01 -0.536084D+00
                36            37            38            39            40 
      1  -0.146908D+01  0.493517D+00  0.108481D+01 -0.204466D+01 -0.113510D+01
      2  -0.739179D+01  0.519215D+01 -0.237834D+01  0.101613D+01 -0.431928D+01
      3  -0.415626D+01 -0.329327D+01  0.449697D+01  0.810245D+00  0.694576D+01
                41            42            43            44            45 
      1   0.120893D+01 -0.194561D+01 -0.514460D+01  0.124109D+01 -0.455440D+01
      2  -0.153409D+01 -0.208923D+01 -0.446823D+01 -0.219354D+01  0.210720D+01
      3   0.104421D+01  0.159353D+01 -0.971511D+00 -0.198585D-01  0.122533D+01
                46            47            48            49            50 
      1  -0.281536D+01  0.760479D+00 -0.454343D+00  0.219637D+01  0.417607D+01
      2  -0.239312D+01  0.454174D+01 -0.596724D+00  0.428215D+01 -0.362162D+01
      3  -0.304315D+01  0.148543D+01 -0.208381D+01  0.832857D+01 -0.169485D+01
                51            52            53            54            55 
      1   0.254460D+01  0.337113D+00  0.102905D+02  0.903769D+00  0.263615D+01
      2   0.532066D-01 -0.957073D+01 -0.431380D+00  0.207828D+01 -0.104435D+02
      3   0.180247D+01 -0.229981D+01  0.440416D+01  0.149754D+01  0.698682D+01
                56            57            58            59            60 
      1   0.469129D+01 -0.154405D+01  0.283084D+01  0.239289D+01 -0.123786D+01
      2  -0.328760D+01 -0.301157D-01 -0.379339D+01 -0.268005D+01  0.293726D+00
      3  -0.189347D+01  0.152633D+01  0.232813D+01 -0.818989D+00 -0.216028D-01
                61            62            63            64            65 
      1  -0.291405D+00  0.132374D+01  0.299420D+00 -0.875395D+00 -0.279072D+01
      2  -0.239341D+01 -0.178946D+00  0.599580D+00  0.944882D+01 -0.454130D+01
      3   0.125949D+01 -0.551429D+00  0.102858D+00 -0.612968D+01  0.208120D+01
                66            67            68            69            70 
      1   0.429300D+01 -0.585576D+00 -0.590955D-01 -0.125730D+01  0.237213D+01
      2  -0.945598D+01 -0.244745D+01  0.356280D+01  0.278321D+01 -0.951858D+01
      3   0.587068D+01  0.322328D+01 -0.196157D+01 -0.310927D+01  0.461880D+01
                71            72            73            74            75 
      1   0.300052D+01 -0.482774D+01  0.128252D+01  0.480358D+00  0.372497D+01
      2   0.452009D+01  0.127700D+02  0.423570D+00 -0.147979D+00  0.115043D+01
      3  -0.250679D+01 -0.722315D+01 -0.192979D+02  0.722950D+01 -0.880006D+00
                76            77            78            79            80 
      1  -0.145075D+00  0.118519D+01 -0.211564D+01  0.123404D+01  0.369886D+00
      2  -0.403250D+00  0.156912D+00 -0.111932D+01 -0.185980D+01  0.354401D+00
      3   0.834598D+01 -0.659787D+01 -0.308315D+00  0.497949D-01 -0.634380D+00
                81            82            83            84            85 
      1  -0.435896D+00  0.204809D+01  0.214856D+01 -0.517037D+01  0.191274D+01
      2  -0.255718D+00 -0.183885D+00 -0.530633D+00  0.229476D+01  0.226040D+00
      3  -0.167053D+01  0.662824D+01  0.112575D+01 -0.181304D+01  0.486442D+01
                86            87            88            89            90 
      1   0.385491D+01 -0.475406D+01 -0.227996D+01 -0.924441D+00  0.428434D+01
      2  -0.822862D+00  0.185780D+01 -0.644825D+00  0.103031D+01 -0.120456D+01
      3  -0.112604D-01 -0.689577D+00 -0.270670D+01 -0.114788D+00  0.135562D+01
                91            92            93            94            95 
      1   0.251610D+01 -0.491998D+00  0.193668D+01  0.465427D-01  0.135382D+01
      2   0.381768D+01 -0.289177D+01  0.145595D+02 -0.373757D+01  0.799111D+01
      3   0.158882D+02 -0.364556D+01  0.102098D+01  0.835395D+01 -0.108871D+02
                96            97            98            99           100 
      1  -0.502606D+01  0.174295D+01  0.173100D+01 -0.486420D+01 -0.219299D+01
      2  -0.240185D+01  0.617742D+01 -0.170967D+01 -0.134953D+02 -0.259836D+01
      3  -0.793217D+01  0.127148D+01 -0.681819D+01 -0.431393D+00  0.720785D+00
               101           102           103           104           105 
      1   0.336213D+01  0.113168D+00  0.169630D+01 -0.323021D+01  0.101216D+01
      2   0.114179D+01  0.296717D+01  0.255202D+01  0.124070D+01 -0.257244D+01
      3  -0.318879D+01  0.909513D+00  0.387182D+00  0.287634D+01 -0.309604D+01
               106           107           108           109           110 
      1  -0.561697D+00  0.525543D+01 -0.970049D+00 -0.169343D+01 -0.612078D+00
      2  -0.211738D+01 -0.138846D+01  0.404358D+01 -0.242634D+00  0.134506D+01
      3  -0.580059D+00 -0.325439D+01  0.211754D+01  0.539960D+00  0.419751D+00
               111           112           113           114           115 
      1  -0.334029D+00 -0.114153D+01 -0.130497D+02 -0.145455D+01  0.666013D-01
      2   0.585085D-01  0.303506D+01  0.282426D+01  0.456139D+00 -0.167516D+01
      3  -0.204696D+00  0.585593D+01 -0.165237D+01 -0.273927D+00 -0.452500D+00
               116           117           118           119           120 
      1   0.988586D+00 -0.100116D+01  0.403541D+01 -0.229330D+01 -0.351210D+01
      2  -0.139304D+00  0.122812D+01  0.769569D+01 -0.851410D+00 -0.925673D+00
      3  -0.463080D+00  0.374468D+00  0.427754D+01 -0.251974D+01 -0.353098D+01
               121           122           123           124           125 
      1  -0.181055D+01  0.189645D+01  0.292045D+01 -0.274290D+01  0.452611D+01
      2  -0.462324D+01  0.100796D+01  0.223759D+00 -0.639728D+01 -0.292801D+00
      3  -0.849993D+00  0.167336D+01  0.138743D+01 -0.354598D+01  0.175787D+01
               126           127           128           129           130 
      1   0.593068D+01  0.872053D+00 -0.565521D-01 -0.816732D+00  0.313811D+00
      2   0.303186D+01 -0.317143D-01  0.120230D+00  0.545107D+00 -0.158065D+01
      3   0.381790D+01  0.116970D+01  0.692245D+00  0.441417D+00  0.666668D+01
               131           132           133           134           135 
      1   0.639064D+00 -0.245992D+01  0.904431D+00  0.119732D+01 -0.189634D+01
      2   0.198150D+01  0.212882D+01 -0.367180D+01  0.102437D+01  0.262685D+01
      3  -0.236837D+01 -0.119420D+01  0.213988D+01 -0.123195D+01 -0.289373D+00
               136           137           138           139           140 
      1  -0.146058D+00  0.147140D+00 -0.342010D+00  0.560156D-01 -0.161958D+01
      2  -0.873643D+00 -0.945183D+00  0.792810D+01  0.225126D+01  0.655912D+00
      3   0.162361D+02 -0.941031D+01  0.178784D+01  0.132268D+02  0.464967D+01
               141           142           143           144           145 
      1  -0.350584D+01  0.614168D+00  0.130219D+01  0.325520D+00  0.103020D+02
      2  -0.107927D+01 -0.842839D+01 -0.265539D+01  0.596390D+00  0.223814D+01
      3  -0.802985D+00 -0.143563D+00  0.443766D+00  0.198102D+01  0.309518D+01
               146           147           148           149           150 
      1  -0.369867D+00 -0.504938D-01 -0.736195D+00 -0.817246D+01 -0.194044D+02
      2  -0.136488D+02  0.159798D+02 -0.127223D+02  0.292940D+01  0.788266D+00
      3  -0.651141D+01  0.394917D+01 -0.264171D+01 -0.183855D+00 -0.197876D+01
               151           152           153           154           155 
      1  -0.577379D+00 -0.105211D+02 -0.348549D+01 -0.119791D+01  0.588510D-01
      2   0.662733D+01  0.142311D+01 -0.202104D+01 -0.855058D+01  0.413674D+01
      3   0.233772D+01 -0.210560D+01 -0.112000D+01 -0.162542D+02  0.141767D+01
               156           157           158           159           160 
      1   0.560888D+00  0.807066D+00  0.315701D+01 -0.788279D+00  0.145259D+01
      2  -0.111530D+02  0.512458D+01 -0.102012D+02  0.291711D+01 -0.228775D+02
      3  -0.302448D+01  0.980949D+01  0.208675D+02  0.947790D+01 -0.385813D+01
               161           162           163           164           165 
      1   0.302232D+01 -0.102767D+01 -0.878437D+01  0.228915D+01 -0.640332D+01
      2   0.193607D+01  0.188465D+02 -0.314584D+01  0.754703D+01 -0.476275D+01
      3   0.988940D+01 -0.241689D+01 -0.145403D+02 -0.168764D+02  0.986433D+00
               166           167           168           169           170 
      1   0.230652D+01 -0.668267D+01  0.138023D+01 -0.893088D+01  0.102192D+02
      2   0.675287D+01 -0.612142D+01  0.144589D+01 -0.108613D+02  0.477285D+01
      3  -0.115963D+02  0.357265D+01  0.411719D+01  0.196480D+01  0.433876D+01
               171           172           173           174           175 
      1   0.148159D+02 -0.500908D+01  0.550321D+01 -0.210400D+00  0.380102D+01
      2   0.119070D+02 -0.159803D+02  0.743131D+01 -0.617772D+01  0.856553D+01
      3   0.279353D+01 -0.725193D+01  0.159356D+01 -0.292396D+01  0.496128D+01
               176           177           178           179           180 
      1  -0.461229D+01  0.195432D+01 -0.900970D+00  0.341559D+01 -0.921200D+00
      2  -0.588515D+01  0.341441D+01 -0.611462D+01  0.307738D+01 -0.466897D+01
      3  -0.199390D+01  0.221745D+01 -0.177615D+01  0.604280D+00 -0.213281D+01
               181           182           183           184           185 
      1  -0.446800D+01 -0.541643D+01  0.236944D-01 -0.351117D+01 -0.419433D+01
      2   0.121491D+02  0.500976D+01 -0.144018D+01  0.657631D+01  0.279476D+01
      3   0.353292D+01 -0.123053D+01 -0.627621D+00  0.233763D+01 -0.106148D+01
               186           187           188           189           190 
      1   0.173348D+01  0.978942D+00  0.355101D+01 -0.110823D+01  0.128747D+01
      2  -0.762593D+00 -0.426730D+01 -0.161078D+01  0.221617D+01 -0.864670D+00
      3   0.473803D+00 -0.852299D+00  0.755702D+00  0.676773D+00  0.203909D+00
               191           192           193           194           195 
      1  -0.811594D-01  0.535733D+00 -0.151816D+00  0.163989D+02  0.894769D+01
      2  -0.673091D+00 -0.184204D+01 -0.382555D+01 -0.140556D+01 -0.298163D+01
      3  -0.486288D+00 -0.599808D+00  0.178075D+01  0.184071D+01  0.155504D+01
               196           197           198           199           200 
      1   0.200168D+00  0.963526D+01  0.860156D+01 -0.727255D+00  0.109777D-01
      2  -0.379750D+01 -0.149579D+01 -0.280910D+01  0.210972D+01  0.348284D+00
      3   0.256118D+00  0.125518D+01  0.121666D+01 -0.389187D+01 -0.259016D+01
               201           202           203           204           205 
      1  -0.363352D+00 -0.179937D-01 -0.305258D+01 -0.379347D+01  0.399281D-01
      2   0.139012D+01 -0.213848D+00  0.533471D+01  0.543312D+01  0.672339D+00
      3   0.509085D+00 -0.938927D+00 -0.266952D+02 -0.568523D+01  0.798811D+00
               206           207           208           209           210 
      1  -0.419008D+00 -0.962839D+00  0.102228D+00  0.573447D+00  0.347885D+00
      2   0.379821D+01  0.173349D+01  0.939935D+01 -0.293035D+01  0.906188D+01
      3  -0.595360D+01 -0.346781D+01  0.833595D+01 -0.781008D+01  0.299251D+01
               211           212           213           214           215 
      1  -0.319875D+00 -0.505829D+00 -0.107029D+01 -0.929775D-01  0.112341D+01
      2  -0.432494D+01  0.400194D+01 -0.535967D+01  0.855709D+01 -0.303787D+01
      3  -0.562376D+01  0.572150D+01 -0.354216D+01  0.384239D+01 -0.596246D+01
               216           217           218           219           220 
      1   0.410737D+00  0.479385D+00 -0.831263D+00 -0.791889D+00 -0.939003D-01
      2   0.658488D+01 -0.533446D+01 -0.443097D+00  0.779937D+01 -0.114661D+00
      3   0.309859D+01  0.117463D+01 -0.243624D+01 -0.152646D+00 -0.139394D+01
               221           222           223           224           225 
      1   0.199125D-01 -0.605391D+00 -0.551521D+00  0.315489D+01  0.179567D+01
      2  -0.195476D+01 -0.900005D+00  0.893536D+01  0.132689D+00 -0.265836D+02
      3  -0.116389D+01  0.183684D+01  0.514911D+00  0.472712D+01  0.228784D-01
               226           227           228           229           230 
      1   0.366660D+01  0.145581D+01 -0.346431D+01  0.170353D+01  0.271485D+01
      2  -0.337589D+01 -0.220048D+01  0.657938D+00 -0.191738D+01 -0.119534D+01
      3   0.201517D+02  0.967758D+01 -0.151300D+01  0.117118D+02  0.106796D+02
               231           232           233           234           235 
      1  -0.293788D+01 -0.169551D+01 -0.791561D+00  0.137272D+00 -0.193833D+01
      2  -0.918957D-01 -0.110942D+01 -0.111710D+01 -0.878022D+00 -0.147608D+01
      3  -0.386852D+00 -0.216056D+01 -0.952753D+00  0.246063D+01  0.153473D+00
               236           237           238           239           240 
      1   0.628651D-01  0.359934D+01  0.378131D+00 -0.178813D+01 -0.137082D+01
      2   0.433869D+00  0.359198D+01 -0.346357D+00 -0.180983D+01 -0.599715D+00
      3  -0.330564D+00  0.132592D+01  0.123688D+01  0.133228D+00  0.126146D+01
               241           242           243           244           245 
      1   0.446436D+01  0.105720D+00 -0.183443D+02  0.567629D+01 -0.382771D+01
      2   0.690110D+00 -0.430251D+01 -0.163171D+02  0.512327D+01 -0.404609D+01
      3   0.263842D+01  0.409114D+01  0.513946D+00 -0.355710D+01 -0.247523D+01
               246           247           248           249           250 
      1   0.541203D+01 -0.366855D+01  0.489613D+01 -0.430363D+01  0.447966D+01
      2   0.570785D+01 -0.319400D+01  0.425535D+01 -0.303112D+01  0.364374D+01
      3  -0.131917D+01  0.290174D+01  0.327922D+01 -0.585911D+00 -0.240651D+01
               251           252           253           254           255 
      1  -0.334309D+01  0.336368D+01 -0.324953D+00 -0.240698D+00 -0.141312D+01
      2  -0.390747D+01  0.334134D+01 -0.302652D+01 -0.988984D+00 -0.113967D+02
      3  -0.326652D+01 -0.259971D+00 -0.147020D+02  0.299618D+01  0.527906D+00
               256           257           258           259           260 
      1   0.534017D+00  0.151060D+01  0.720513D+01  0.727985D+00  0.992834D+01
      2  -0.232684D+01  0.202098D+01 -0.833978D+01 -0.201676D+02 -0.942231D+00
      3   0.121784D+01  0.226440D+02 -0.168973D+01  0.237649D+01 -0.248281D+01
               261           262           263           264           265 
      1  -0.180181D+01 -0.165189D+00  0.427502D+00  0.170347D+01  0.534917D-01
      2   0.187569D+01  0.176356D+01  0.160766D+01  0.611138D+01  0.210563D+01
      3   0.289235D+01  0.227292D+02 -0.162895D+01 -0.120610D+01  0.150569D+02
               266           267           268           269           270 
      1   0.904850D+00  0.236953D+01 -0.372578D+01  0.781549D+01 -0.678471D+00
      2   0.197110D+01  0.179530D+02 -0.929878D+01  0.231669D+02 -0.519848D+01
      3  -0.133631D+02 -0.203083D+01 -0.147374D+01 -0.295360D+01 -0.212240D+02
               271           272           273           274           275 
      1   0.588392D+00  0.406722D+00  0.954996D+00  0.104574D+00 -0.834498D-02
      2  -0.101239D+01 -0.548546D-01  0.660033D+01  0.634376D+00 -0.240861D+01
      3  -0.763381D+01 -0.775830D+01 -0.395553D+00  0.305394D+01 -0.376582D+02
               276           277           278           279           280 
      1  -0.975654D+01 -0.240667D+00  0.259406D+00  0.114148D+01  0.443753D+00
      2   0.113253D+02  0.500002D+01  0.783252D+01 -0.316393D+01  0.333901D+01
      3   0.198292D+01 -0.992244D+00  0.260144D+01 -0.791190D+01  0.865138D-02
               281           282           283           284           285 
      1  -0.136277D+00 -0.694112D-01 -0.708861D+00  0.996403D+00 -0.362534D+01
      2  -0.355779D+00  0.700275D+00 -0.231153D+01  0.870134D+01 -0.117625D+02
      3  -0.536216D+00 -0.446086D+00 -0.374295D+01  0.143811D+02 -0.793293D+01
               286           287           288           289           290 
      1   0.125926D+01 -0.924614D+00  0.498572D+01 -0.116236D+00  0.143607D-02
      2   0.528362D+01 -0.135049D+02  0.222263D+02 -0.203365D+01 -0.553914D+00
      3   0.224157D+01 -0.113021D+02  0.125659D+02 -0.146547D+02 -0.101550D+02
               291           292           293           294           295 
      1   0.300611D+00  0.618061D-01 -0.464490D-01 -0.844496D+00  0.736405D+00
      2   0.694628D+01 -0.749497D+00 -0.699104D+00  0.200681D+01  0.407423D+01
      3   0.527552D+00 -0.824150D+01 -0.735827D+01  0.579842D+00  0.555855D+00
               296           297           298           299           300 
      1   0.433130D+00 -0.162092D-01 -0.566280D+00 -0.106169D-01 -0.247683D+00
      2  -0.718142D+00 -0.419477D+00 -0.321463D+01 -0.208369D+00  0.236940D+00
      3   0.943284D+00  0.110958D+00  0.501066D+00  0.278437D+00  0.911146D+00
               301           302           303           304           305 
      1   0.936225D+00 -0.221755D+01 -0.428325D+01  0.113887D+01 -0.171559D+01
      2   0.187274D+01 -0.100748D+02 -0.118335D+02  0.412638D+01 -0.132803D+02
      3  -0.387633D+01  0.191360D+02  0.902909D+01 -0.185085D+01  0.129863D+02
               306 
      1  -0.445504D+01
      2  -0.161772D+02
      3   0.123513D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.179260D+01 -0.117170D+02 -0.203805D+02 -0.780220D+01 -0.108552D+02
      2   0.803456D+01  0.449851D+01 -0.434294D+01  0.361706D+01  0.114995D+02
      3  -0.624196D+01  0.721846D+01  0.247235D+02  0.418514D+01 -0.644259D+00
      4  -0.172367D+02 -0.103226D+02 -0.138672D+02 -0.962399D+01  0.546802D+01
      5  -0.182091D+02 -0.160968D+02 -0.104433D+02 -0.122115D+02 -0.153318D+01
      6  -0.232698D+02 -0.773850D+01  0.524852D+01 -0.536349D+01  0.748795D+01
                 6             7             8             9            10 
      1   0.162018D+01 -0.137997D+02  0.254408D+01  0.149714D+02  0.102542D+02
      2   0.767961D+01 -0.382670D+01  0.779637D+01 -0.648719D+01 -0.219947D+02
      3  -0.929979D+01  0.176264D+02 -0.103405D+02 -0.848425D+01  0.117406D+02
      4  -0.110244D+01 -0.749107D+01  0.581687D-01 -0.732300D+00  0.622707D+00
      5  -0.606488D+01 -0.276629D+01 -0.575283D+01  0.114260D+02  0.437431D+01
      6  -0.562211D+01  0.427068D+01 -0.771383D+01 -0.951130D+01  0.588238D+01
                11            12            13            14            15 
      1  -0.156700D+01  0.427787D-01 -0.269764D+01 -0.349262D+00 -0.479375D+01
      2  -0.215025D+01  0.932993D+01 -0.101855D+01 -0.332928D+01  0.125628D+02
      3   0.371724D+01 -0.937270D+01  0.371618D+01  0.367855D+01 -0.776908D+01
      4  -0.177635D+02  0.678192D+01 -0.133087D+02 -0.238829D+01  0.106032D+02
      5   0.569082D+01 -0.432981D+01  0.469368D+01  0.829296D+01  0.451133D+01
      6   0.843177D+01 -0.670212D+01  0.660687D+01  0.105719D+02  0.171672D+01
                16            17            18            19            20 
      1  -0.255669D+01 -0.659675D+01 -0.411584D+01 -0.485799D+00  0.602869D+01
      2   0.909128D+01  0.153719D+02  0.100576D+02  0.176054D+00 -0.604543D+01
      3  -0.653459D+01 -0.877519D+01 -0.594173D+01  0.309745D+00  0.167486D-01
      4   0.355936D+01  0.107063D+02 -0.403662D+01  0.104878D+02 -0.435247D+01
      5  -0.456902D+01  0.105046D+00 -0.553823D+01 -0.172446D+01  0.119476D+02
      6  -0.543254D+01  0.680024D+00 -0.379145D+01  0.122427D+02  0.881565D+00
                21            22            23            24            25 
      1   0.626810D+01  0.516976D+01  0.501351D+01 -0.109349D+01  0.125696D+02
      2   0.115515D+02 -0.638874D+01  0.593049D+00 -0.891005D+01  0.515272D+01
      3  -0.178196D+02  0.121898D+01 -0.560655D+01  0.100035D+02 -0.177224D+02
      4   0.850890D+01 -0.415735D+01 -0.741368D+01 -0.111319D+02  0.698999D+01
      5  -0.163954D+02  0.108095D+02 -0.117393D+02  0.123242D+02 -0.217328D+02
      6   0.105876D+02 -0.352627D+01 -0.877203D+01 -0.887826D+01  0.882768D+01
                26            27            28            29            30 
      1  -0.160618D+01 -0.182510D+02 -0.352594D+00  0.161493D+01 -0.942061D+01
      2  -0.672228D+01  0.110605D+02  0.838324D+01 -0.312086D+01 -0.720622D+01
      3   0.832846D+01  0.719052D+01 -0.803064D+01  0.150593D+01  0.166268D+02
      4  -0.503039D+01  0.151845D+02  0.163751D+01  0.131127D+01 -0.644697D+00
      5   0.145750D+02 -0.779769D+01 -0.771544D+00 -0.444644D+01 -0.756142D+01
      6  -0.486900D+01  0.968171D+01 -0.778818D+01  0.413926D-03 -0.285975D+01
                31            32            33            34            35 
      1   0.126652D+01  0.140494D+02  0.230150D+01 -0.128815D+02  0.290117D+01
      2  -0.445732D+01 -0.210074D+02  0.113192D+02 -0.484778D+01  0.464773D+01
      3   0.319079D+01  0.695798D+01 -0.136207D+02  0.177293D+02 -0.754890D+01
      4   0.264684D+01  0.467658D+00  0.181797D+01 -0.222017D+01 -0.374162D+00
      5  -0.522664D+01  0.680198D+01  0.230735D+01 -0.221248D+01 -0.232579D+00
      6   0.319070D+01  0.202025D+02 -0.135804D+01 -0.474752D+01  0.133667D+01
                36            37            38            39            40 
      1  -0.235158D+01 -0.381239D+02  0.343551D+01  0.964842D+00  0.101464D+02
      2   0.413429D+01  0.192373D+02 -0.349399D+01 -0.621875D-01 -0.350695D+01
      3  -0.178271D+01  0.188866D+02  0.584811D-01 -0.902654D+00 -0.663947D+01
      4  -0.348077D+01 -0.169454D+01 -0.115578D+02  0.190575D+01 -0.406547D+01
      5   0.958187D+01  0.852819D+00  0.257482D+01 -0.980067D+01  0.345609D+01
      6  -0.759507D+01  0.480506D+01 -0.116600D+01 -0.116211D+01 -0.210365D+01
                41            42            43            44            45 
      1   0.312533D+01 -0.164885D+01  0.450993D+01 -0.295336D+01  0.877681D+01
      2   0.669723D-01 -0.276714D+01 -0.800591D-02  0.248106D+01 -0.289649D+01
      3  -0.319230D+01  0.441599D+01 -0.450192D+01  0.472301D+00 -0.588032D+01
      4   0.611302D+00 -0.205589D+01  0.185080D+01  0.337452D+00 -0.530022D+00
      5  -0.258871D+01 -0.298022D+01 -0.373703D+01 -0.188078D+01 -0.314649D+01
      6  -0.561380D+01 -0.865006D+01  0.100665D+01 -0.605900D+01 -0.661346D+00
                46            47            48            49            50 
      1  -0.183511D+02  0.807087D+01 -0.337731D+01  0.151563D+02 -0.637415D+01
      2   0.304791D+01  0.486059D+00  0.168426D+00 -0.666366D+01 -0.544481D+01
      3   0.153032D+02 -0.855693D+01  0.320889D+01 -0.849266D+01  0.118190D+02
      4   0.132039D+02 -0.279895D+01 -0.177532D+01 -0.455038D+00  0.624242D+00
      5  -0.379763D+01 -0.520809D+01  0.377589D+01 -0.427173D+01 -0.523982D+01
      6  -0.899102D+01  0.801838D+00  0.147377D+01  0.822395D+00 -0.686597D+01
                51            52            53            54            55 
      1   0.589740D+01 -0.860174D+01  0.942148D+01 -0.115197D+01  0.204545D+02
      2  -0.103227D+02  0.186770D+01 -0.145625D+02  0.773717D-01 -0.124029D+02
      3   0.442529D+01  0.673404D+01  0.514099D+01  0.107460D+01 -0.805162D+01
      4  -0.748997D+01  0.214400D+01 -0.110862D+02  0.123231D+01  0.262002D+02
      5   0.551763D+00  0.255549D+01 -0.161594D+01  0.753368D+01  0.295038D+02
      6   0.592033D+01  0.549477D+00  0.247946D+01  0.434317D+01  0.179692D+02
                56            57            58            59            60 
      1   0.400816D+01  0.481109D+01  0.383030D+01  0.108013D+01 -0.117783D+01
      2   0.357830D+00 -0.642600D+01  0.123212D+01  0.386738D+01 -0.396243D+00
      3  -0.436599D+01  0.161491D+01 -0.506243D+01 -0.494751D+01  0.157408D+01
      4   0.185330D+02  0.145832D+02  0.161368D+02  0.140645D+02  0.861586D+01
      5   0.158716D+02  0.216006D+02  0.115590D+02  0.109784D+02  0.864184D+01
      6   0.147312D+02  0.128924D+02  0.108429D+02  0.116366D+02  0.107331D+02
                61            62            63            64            65 
      1   0.277588D+01 -0.111424D+01 -0.826555D+00 -0.795773D+01  0.924878D+01
      2  -0.445926D+01 -0.230890D+01 -0.533162D+01 -0.242032D+01 -0.365898D+01
      3   0.168339D+01  0.342314D+01  0.615817D+01  0.103780D+02 -0.558980D+01
      4   0.798368D+01  0.596795D+01  0.816929D+01 -0.277400D+01  0.276900D+01
      5   0.146280D+02  0.808307D+01  0.127209D+02 -0.512876D+01  0.362882D+01
      6   0.778332D+01  0.895640D+01  0.112819D+02  0.103367D+02 -0.889920D+01
                66            67            68            69            70 
      1   0.174170D+02  0.417032D+01 -0.837673D+01 -0.820753D+01  0.109106D+02
      2   0.396384D+01 -0.261349D+01  0.326487D+01  0.198908D+01  0.221986D+01
      3  -0.213809D+02 -0.155684D+01  0.511186D+01  0.621845D+01 -0.131305D+02
      4   0.503562D+01  0.301931D+01 -0.112297D+01 -0.213426D+00  0.411407D+01
      5   0.737676D+01  0.269661D+01 -0.127076D+01  0.235505D+00  0.664561D+01
      6  -0.148195D+02 -0.439021D+01  0.847211D+01  0.138167D+02 -0.732887D+01
                71            72            73            74            75 
      1  -0.111468D+02 -0.288304D+02 -0.350247D+01  0.110951D+02  0.110724D+01
      2   0.122274D+00 -0.973025D+01  0.144366D+02 -0.195664D+02 -0.872499D+00
      3   0.110245D+02  0.385607D+02 -0.109341D+02  0.847126D+01 -0.234742D+00
      4   0.314616D+00 -0.159772D+01 -0.154676D+02  0.114951D+02 -0.120465D+01
      5   0.863517D+00 -0.186222D+01 -0.228993D+01  0.696450D+00  0.123698D+01
      6   0.151777D+02  0.250625D+02 -0.376630D+00 -0.191923D+01 -0.443343D+01
                76            77            78            79            80 
      1   0.582339D+01 -0.102133D+02 -0.110564D+00  0.596222D+00  0.134734D+00
      2  -0.123554D+02  0.207139D+02 -0.175860D+01 -0.129635D+01 -0.116945D+01
      3   0.653200D+01 -0.105006D+02  0.186917D+01  0.700128D+00  0.103471D+01
      4   0.103952D+02 -0.835261D+01 -0.627108D+00 -0.279322D-02 -0.139739D+01
      5   0.460552D+00 -0.155615D+01 -0.435191D+00  0.280630D+01 -0.640326D+00
      6  -0.142507D+01  0.366646D+00  0.373262D+01 -0.338250D+01  0.554300D+01
                81            82            83            84            85 
      1  -0.214740D+01  0.351688D+01 -0.417228D+01 -0.369599D+00 -0.217375D+01
      2   0.135310D+01  0.857875D+01  0.162686D+02 -0.393778D+01  0.105552D+02
      3   0.794303D+00 -0.120956D+02 -0.120963D+02  0.430738D+01 -0.838150D+01
      4  -0.139706D+01  0.148711D+02  0.195262D+02 -0.652410D+01  0.150451D+02
      5   0.487236D+00 -0.456242D+01 -0.408688D+01  0.524128D+01 -0.271803D+01
      6   0.134753D+01 -0.469325D+01 -0.562960D+01  0.696980D+01 -0.390644D+01
                86            87            88            89            90 
      1  -0.119247D+02  0.348419D+01  0.453410D+00  0.595174D+01 -0.317632D+01
      2   0.308496D+02 -0.882818D+01 -0.379896D+01 -0.123640D+02  0.443077D+01
      3  -0.189249D+02  0.534399D+01  0.334555D+01  0.641221D+01 -0.125445D+01
      4   0.218273D+02 -0.710050D+01 -0.630809D+01 -0.886845D+01  0.703734D+01
      5  -0.558132D+01  0.373834D+01  0.454406D+01  0.454285D+01 -0.471735D+01
      6  -0.940850D+01  0.733665D+01  0.544082D+01  0.980770D+01 -0.746521D+01
                91            92            93            94            95 
      1  -0.396610D+01 -0.296426D+02  0.861544D+01 -0.344304D+02  0.972297D+01
      2   0.951169D+01  0.136128D+02 -0.297484D+01  0.167984D+02 -0.963341D+01
      3  -0.554559D+01  0.160298D+02 -0.564061D+01  0.176320D+02 -0.895667D-01
      4  -0.300178D+02  0.942319D+01 -0.258138D+01  0.623903D+01  0.137758D+02
      5   0.518139D+01 -0.670638D+00  0.172283D+02 -0.218407D+01  0.107888D+02
      6   0.363915D+01 -0.461663D+00 -0.279055D+01 -0.310367D+00 -0.251200D+01
                96            97            98            99           100 
      1  -0.234684D+01  0.803340D+01  0.660471D+00  0.192052D+02  0.100194D+02
      2  -0.235061D+01 -0.198982D+01 -0.592025D+01 -0.755279D+01 -0.126153D+02
      3   0.469745D+01 -0.604358D+01  0.525978D+01 -0.116524D+02  0.259585D+01
      4   0.137177D+02 -0.394272D+01  0.137901D+02 -0.704743D+01 -0.112594D+02
      5  -0.676510D+01  0.181514D+02 -0.450838D+01 -0.181285D+02  0.215681D+02
      6  -0.419351D+00 -0.331984D+01  0.115123D+01  0.392347D+01 -0.896033D+01
               101           102           103           104           105 
      1  -0.319673D+01  0.241414D+01 -0.206059D+01 -0.339535D+01  0.394966D+01
      2   0.400322D+01 -0.119636D+02  0.327041D+01 -0.987376D+00  0.404550D+01
      3  -0.806485D+00  0.954949D+01 -0.120981D+01  0.438273D+01 -0.799516D+01
      4   0.958156D+01 -0.865079D+01  0.992680D+01 -0.970810D+01  0.103659D+02
      5  -0.107437D+02  0.248913D+02 -0.108735D+02  0.121242D+02 -0.134538D+02
      6   0.671294D+01 -0.887201D+01  0.767513D+01 -0.112503D+02  0.153735D+02
               106           107           108           109           110 
      1  -0.118068D+01  0.356576D+01 -0.815463D+01  0.516187D-01 -0.941319D+00
      2  -0.991159D+01  0.480964D+01 -0.177604D+02  0.261223D+01  0.238881D+01
      3   0.110923D+02 -0.837540D+01  0.259150D+02 -0.266384D+01 -0.144749D+01
      4  -0.642152D+01  0.731165D+01 -0.107486D+02  0.624869D+00  0.574681D+01
      5   0.213226D+02 -0.116291D+02  0.294887D+02 -0.927664D+00 -0.217320D+01
      6  -0.791007D+01  0.120846D+02 -0.154898D+02 -0.263398D+01 -0.130088D+01
               111           112           113           114           115 
      1   0.106196D+01 -0.984917D+00 -0.263800D+02  0.101941D+02  0.279833D+01
      2   0.289295D+00  0.251177D+01  0.368891D+02 -0.816943D+01  0.479266D-01
      3  -0.135126D+01 -0.152685D+01 -0.105091D+02 -0.202464D+01 -0.284626D+01
      4  -0.120586D+01  0.563856D+01  0.180107D+01 -0.132024D+01 -0.148024D+00
      5   0.322974D+01 -0.359020D+01 -0.459719D+01  0.126515D+01  0.285205D+01
      6   0.115373D+01 -0.429146D+01 -0.284975D+02  0.134284D+02  0.189240D+01
               116           117           118           119           120 
      1   0.555555D+01 -0.539015D+01  0.202210D+01 -0.116788D+01  0.467080D+01
      2  -0.238469D+01  0.304018D+01 -0.102127D+02  0.161861D+01  0.796398D+01
      3  -0.317086D+01  0.234997D+01  0.819058D+01 -0.450735D+00 -0.126348D+02
      4   0.823076D-01  0.505470D+00  0.159515D+01  0.155753D+01 -0.157825D+01
      5   0.928240D+00 -0.199096D+01 -0.125475D+02  0.115357D+01  0.136161D+02
      6   0.994212D+01 -0.630235D+01  0.216753D-01 -0.258284D+01  0.216483D+01
               121           122           123           124           125 
      1   0.119099D+00 -0.383926D+01 -0.365845D+01  0.373309D+01  0.472170D-01
      2   0.289891D+01  0.113949D+01 -0.501127D+01  0.792617D+01 -0.284561D+01
      3  -0.301801D+01  0.269977D+01  0.866973D+01 -0.116593D+02  0.279839D+01
      4   0.124964D+01 -0.650373D+00 -0.117854D+01 -0.171250D+01 -0.131195D+01
      5   0.433922D+01 -0.300144D+01 -0.406269D+01  0.123062D+02 -0.331452D+00
      6  -0.241400D+01 -0.422431D-01  0.452551D+01  0.221051D+01  0.473541D+01
               126           127           128           129           130 
      1  -0.134585D+02  0.874834D+01  0.563770D+00  0.122656D+01  0.449636D+01
      2  -0.136585D+02 -0.324832D+01  0.203985D+00 -0.464781D+00 -0.213532D+01
      3   0.271170D+02 -0.550002D+01 -0.767755D+00 -0.761783D+00 -0.236104D+01
      4   0.187750D+01  0.159354D+01  0.324277D+01  0.198548D+01  0.436128D+01
      5  -0.141791D+02  0.221837D+01  0.153589D+01  0.306539D+01  0.217517D+01
      6  -0.202275D+01  0.268103D+01  0.112251D+01  0.175048D+01  0.127046D+01
               131           132           133           134           135 
      1  -0.897483D+01 -0.499755D+01  0.191558D+01 -0.427339D+01 -0.833700D+01
      2   0.104332D+02  0.460850D+01 -0.179608D+01  0.231204D+01  0.143832D+01
      3  -0.145842D+01  0.389052D+00 -0.119504D+00  0.196135D+01  0.689868D+01
      4   0.294034D+01  0.255229D+01  0.173322D+01  0.217539D+01  0.237632D+01
      5   0.255575D+01  0.274016D+01  0.378280D+01  0.276650D+01  0.439018D+01
      6   0.932745D+01  0.855690D+01  0.125876D+01  0.763186D+01  0.869953D+01
               136           137           138           139           140 
      1   0.245691D+02 -0.974232D+01  0.477377D+01 -0.243133D+02 -0.333927D+01
      2  -0.133607D+02  0.277290D+01 -0.245819D+01  0.133776D+02  0.477232D+01
      3  -0.112084D+02  0.696942D+01 -0.231558D+01  0.109358D+02 -0.143305D+01
      4  -0.906118D+01  0.195028D+02 -0.166300D+01  0.116148D+02 -0.293337D+01
      5   0.346540D+01 -0.131920D+01  0.161868D+02 -0.208195D+01  0.128670D+01
      6  -0.972325D+00 -0.631037D+00  0.366202D+00 -0.749995D-01  0.313275D+00
               141           142           143           144           145 
      1   0.428287D+00  0.309840D+01  0.974230D+00 -0.506546D+01  0.124254D+02
      2   0.427146D+00 -0.753962D+00 -0.374046D+00  0.122373D+01 -0.171159D+01
      3  -0.855434D+00 -0.234444D+01 -0.600184D+00  0.384172D+01 -0.107138D+02
      4   0.135817D+01 -0.105830D+01 -0.558519D+00 -0.278544D+01 -0.748481D+01
      5   0.117695D+01  0.910690D+00 -0.154678D+01  0.491807D+00  0.495004D+01
      6   0.525721D+01  0.624513D+00  0.319350D+01 -0.933405D+00  0.266295D+02
               146           147           148           149           150 
      1  -0.681966D+01  0.536531D+01 -0.650763D+01  0.104592D+02  0.682734D+01
      2   0.328600D+01 -0.350408D+01  0.346132D+01  0.954449D+01  0.850573D+01
      3   0.353366D+01 -0.186123D+01  0.304631D+01 -0.200037D+02 -0.153331D+02
      4  -0.920266D+01  0.107927D+02 -0.912546D+01  0.163289D+01  0.622940D+01
      5   0.220154D+02 -0.176705D+02  0.217419D+02  0.479540D+01  0.217034D+01
      6  -0.172858D+01 -0.531274D-01 -0.146648D+01 -0.362278D+01 -0.220996D+02
               151           152           153           154           155 
      1   0.424874D+01  0.303757D+01 -0.687698D+01 -0.605236D+00  0.318291D+02
      2  -0.172952D+01  0.926150D+01 -0.513926D+01  0.103667D+01 -0.163425D+02
      3  -0.251922D+01 -0.122991D+02  0.120162D+02 -0.431432D+00 -0.154866D+02
      4   0.618573D+01  0.488814D+01  0.132223D+01  0.320946D+02 -0.394442D+01
      5  -0.142577D+02  0.204462D+01 -0.406573D+01 -0.174470D+02  0.476788D+01
      6  -0.208228D+00 -0.161680D+02 -0.119344D+02 -0.101108D+01 -0.551660D+00
               156           157           158           159           160 
      1  -0.189444D+02  0.379656D+02 -0.878816D+01  0.804336D+01 -0.243328D+02
      2   0.618673D+01 -0.204334D+02  0.133098D+01 -0.424976D+01  0.580322D+01
      3   0.127576D+02 -0.175322D+02  0.745718D+01 -0.379360D+01  0.185296D+02
      4   0.505071D+01 -0.935403D+01 -0.275667D+02 -0.151364D+02  0.783798D+01
      5  -0.219399D+02  0.811998D+01 -0.143216D+02  0.632581D+01 -0.342775D+02
      6  -0.566154D+00 -0.897911D+00  0.125501D+01  0.136567D+01 -0.722156D-01
               161           162           163           164           165 
      1   0.733813D+01 -0.253310D+02  0.994351D+01  0.275011D+02 -0.806957D+01
      2  -0.366780D+01  0.208921D+02 -0.236214D+02 -0.132700D+02 -0.427042D+01
      3  -0.367033D+01  0.443885D+01  0.136779D+02 -0.142310D+02  0.123400D+02
      4  -0.158828D+02  0.470655D+01  0.239414D+02 -0.214249D+02  0.101919D+02
      5   0.496175D+01  0.340631D+02 -0.881073D+01  0.243990D+01 -0.946000D+01
      6   0.682146D+00  0.200849D+01  0.415539D+01 -0.732773D+01  0.862569D+01
               166           167           168           169           170 
      1   0.251249D+02 -0.972111D+01 -0.268545D+00 -0.115502D+02  0.161871D+01
      2  -0.123378D+02  0.856751D+01  0.105079D+02 -0.499590D+01  0.140735D+02
      3  -0.127871D+02  0.115360D+01 -0.102393D+02  0.165461D+02 -0.156922D+02
      4  -0.182357D+02 -0.700133D+01 -0.149256D+02  0.129345D+02 -0.183592D+02
      5   0.224135D+01 -0.123057D+02  0.211852D+01 -0.136589D+02  0.833928D+01
      6  -0.587196D+01  0.131389D+02 -0.415913D+00  0.116974D+02 -0.492770D+01
               171           172           173           174           175 
      1  -0.384169D+01 -0.589099D+01  0.813140D+01 -0.125154D+02  0.643813D+01
      2   0.116457D+02 -0.814763D+00 -0.399922D+01 -0.344188D+01 -0.369647D+01
      3  -0.780405D+01  0.670575D+01 -0.413217D+01  0.159573D+02 -0.274165D+01
      4   0.138778D+02 -0.707051D+01  0.562331D+01 -0.475486D+01  0.620719D+01
      5   0.263417D+02  0.183484D+02 -0.103236D+02  0.125011D+02 -0.110658D+02
      6  -0.203078D+02 -0.147756D+02  0.129150D+02 -0.118282D+02  0.103057D+02
               176           177           178           179           180 
      1  -0.109303D+02  0.885295D+01 -0.576407D+01  0.493492D+01 -0.912484D+01
      2   0.584824D+01 -0.103576D+01 -0.253687D+01 -0.130534D+00 -0.336546D+01
      3   0.508203D+01 -0.781719D+01  0.830095D+01 -0.480438D+01  0.124903D+02
      4  -0.393695D+01  0.127519D+01 -0.262569D+01  0.131208D+01 -0.231490D+01
      5   0.552753D+01 -0.511355D+01  0.850254D+01 -0.383012D+01  0.759365D+01
      6  -0.138331D+02  0.148188D+02 -0.658168D+01  0.917049D+01 -0.856042D+01
               181           182           183           184           185 
      1   0.720962D+01 -0.667210D+00  0.465887D+01  0.534572D+00 -0.538023D+01
      2  -0.735792D+01  0.124169D+00  0.740826D+01 -0.281958D-01  0.279568D+01
      3   0.148298D+00  0.543041D+00 -0.120671D+02 -0.506377D+00  0.258455D+01
      4   0.137995D+02  0.111119D+02 -0.874169D+01  0.106341D+02  0.986885D+01
      5  -0.240869D+02 -0.138638D+02  0.198020D+02 -0.136291D+02 -0.105694D+02
      6  -0.137111D+02 -0.118326D+02  0.112784D+02 -0.936402D+01 -0.130021D+02
               186           187           188           189           190 
      1   0.557987D+01  0.189174D+01  0.281477D+01 -0.430389D+01 -0.214487D+01
      2   0.779148D+00  0.475773D+01  0.109323D+01 -0.593670D+01 -0.162947D+01
      3  -0.635902D+01 -0.664947D+01 -0.390801D+01  0.102406D+02  0.377435D+01
      4  -0.700164D+01 -0.458012D+01 -0.407379D+01  0.546677D+01 -0.136674D+00
      5   0.951793D+01  0.135636D+02  0.660737D+01 -0.124239D+02 -0.831428D+00
      6   0.139924D+02  0.674402D+01  0.914753D+01 -0.817207D+01  0.473712D+00
               191           192           193           194           195 
      1  -0.527906D+00 -0.236205D+01 -0.102592D+01 -0.924844D+01 -0.150762D+02
      2  -0.421478D+00  0.319518D+00 -0.362521D+00 -0.407326D+01 -0.118770D+02
      3   0.949384D+00  0.204253D+01  0.138844D+01  0.133217D+02  0.269532D+02
      4   0.300986D+01 -0.802036D-01  0.273676D+01 -0.575542D+01 -0.331708D+01
      5   0.131847D+01  0.691974D+01  0.379638D+01 -0.292299D+01 -0.485439D+01
      6   0.924128D+00  0.598659D+00  0.721491D+00  0.209605D+02  0.163620D+02
               196           197           198           199           200 
      1  -0.140776D+01 -0.722860D+01 -0.143396D+02  0.374883D+01  0.513261D+01
      2   0.242160D+00 -0.746459D+01 -0.133275D+02  0.119662D+00 -0.193572D+00
      3   0.116560D+01  0.146932D+02  0.276671D+02 -0.386849D+01 -0.493904D+01
      4  -0.331966D-02 -0.258441D+01 -0.303512D+01  0.628404D+01  0.106660D+02
      5   0.589535D+01 -0.267949D+01 -0.465094D+01  0.351818D+01  0.690708D+00
      6   0.278349D+00  0.133015D+02  0.124605D+02  0.740585D+00  0.656068D-01
               201           202           203           204           205 
      1   0.410378D+01  0.156392D+02  0.441160D+01 -0.164740D+01  0.846774D+01
      2  -0.158634D+01 -0.516501D+01  0.903285D+01  0.217413D+01 -0.332575D+01
      3  -0.251745D+01 -0.104742D+02 -0.134445D+02 -0.526735D+00 -0.514200D+01
      4   0.124874D+01  0.180524D+02  0.429324D+02  0.744783D+01  0.209178D+01
      5   0.335343D+01 -0.410126D+00  0.715577D+01  0.728951D+01  0.605248D+01
      6   0.522910D+00 -0.567878D+00 -0.414625D+00  0.357060D+01  0.474454D+00
               206           207           208           209           210 
      1  -0.265859D+00  0.186425D+01  0.651074D+02 -0.161562D+02  0.178093D+02
      2   0.107633D+01 -0.161043D+01 -0.323458D+02  0.737844D+01 -0.924882D+01
      3  -0.810476D+00 -0.253815D+00 -0.327617D+02  0.877773D+01 -0.856049D+01
      4   0.853032D+01  0.515993D+01 -0.171687D+02  0.123673D+02 -0.489608D+01
      5   0.529779D+01  0.745934D+00  0.190007D+02 -0.501537D+01  0.151432D+02
      6   0.325103D+01  0.133927D+01 -0.429276D+00  0.350533D+00 -0.269642D+00
               211           212           213           214           215 
      1  -0.323948D+02  0.126575D+02 -0.709024D+01  0.334561D+02 -0.703734D+01
      2   0.150902D+02 -0.352778D+01  0.351589D+01 -0.173916D+02  0.353784D+01
      3   0.173046D+02 -0.912975D+01  0.357435D+01 -0.160645D+02  0.349950D+01
      4   0.183722D+02 -0.115852D+02  0.735004D+01 -0.857024D+01  0.963887D+01
      5  -0.866832D+01  0.713382D+01 -0.891033D+01  0.229965D+02 -0.645082D+01
      6   0.133238D+01 -0.125998D+01  0.177438D+01 -0.127219D+01  0.195264D+01
               216           217           218           219           220 
      1   0.161981D+02  0.181226D+02 -0.193796D+01 -0.111295D+02 -0.550444D+01
      2  -0.112439D+02 -0.127292D+02  0.999274D+00  0.873406D+01  0.336483D+01
      3  -0.495421D+01 -0.539342D+01  0.938683D+00  0.239544D+01  0.213961D+01
      4  -0.598125D+01 -0.138407D+01  0.393210D+01 -0.145952D+01  0.679542D+01
      5   0.124930D+02 -0.150097D+02 -0.966986D+00  0.193867D+02  0.377412D+00
      6  -0.168858D+01 -0.687033D+00 -0.102011D+01  0.910458D+00 -0.218239D+01
               221           222           223           224           225 
      1   0.257863D+01 -0.158164D+00 -0.235838D+02 -0.187030D+01  0.137527D+02
      2  -0.158479D+01 -0.187941D+00  0.187943D+02  0.104951D+01 -0.224264D+02
      3  -0.993837D+00  0.346105D+00  0.478948D+01  0.820790D+00  0.867371D+01
      4   0.201022D+01 -0.506397D+01 -0.251974D+01 -0.709531D+01  0.148319D+00
      5  -0.458411D+01 -0.238230D+01  0.330895D+02 -0.374454D-01 -0.495144D+02
      6   0.193612D+00  0.421446D+01  0.975027D+00  0.428717D+01 -0.277910D+01
               226           227           228           229           230 
      1  -0.154365D+02 -0.187399D+02  0.123009D+00 -0.137812D+02 -0.180775D+02
      2   0.154878D+02  0.222963D+02  0.742294D+00  0.148971D+02  0.253180D+02
      3  -0.512916D-01 -0.355645D+01 -0.865303D+00 -0.111590D+01 -0.724043D+01
      4   0.895840D+01  0.124741D+01 -0.266470D+01  0.660345D+01 -0.374642D+00
      5   0.529791D+01  0.108522D+01 -0.451663D+00  0.219146D+01  0.266208D+01
      6  -0.320870D+00  0.416898D+01  0.403134D+01  0.183838D+01  0.192158D+01
               231           232           233           234           235 
      1  -0.236951D+00  0.243867D+01  0.592732D+00 -0.359377D+01  0.381447D+01
      2  -0.103013D+01 -0.123582D+00 -0.345567D+01  0.178118D+01 -0.215085D+01
      3   0.126708D+01 -0.231508D+01  0.286294D+01  0.181259D+01 -0.166362D+01
      4   0.777231D+00 -0.243767D+01  0.328233D+01 -0.450964D+00 -0.763900D+01
      5  -0.869350D+00  0.134529D+01 -0.159520D+01 -0.179905D+01 -0.815384D+01
      6   0.400081D+01  0.182427D+01  0.423767D+01  0.151965D+01  0.429617D+01
               236           237           238           239           240 
      1  -0.304688D+01 -0.382016D+01 -0.587242D+00 -0.245978D+01 -0.338179D+01
      2   0.492119D+00  0.505646D+01 -0.846196D+00  0.171415D+01  0.352479D+01
      3   0.255476D+01 -0.123630D+01  0.143344D+01  0.745627D+00 -0.143002D+00
      4   0.766074D+01  0.520543D+01  0.439728D+01 -0.279356D+01 -0.373411D+01
      5   0.345677D+01  0.123535D+02  0.376287D+00 -0.357002D+01 -0.246717D+01
      6  -0.214530D+01 -0.696198D+01 -0.145629D+01  0.407513D+01  0.811399D+01
               241           242           243           244           245 
      1  -0.391479D+01 -0.559485D+01 -0.899496D+01  0.246804D+02 -0.125383D+02
      2   0.602583D+01  0.441353D+01 -0.121244D+02  0.121204D+01 -0.859694D+01
      3  -0.211104D+01  0.118133D+01  0.211194D+02 -0.258924D+02  0.211352D+02
      4   0.853816D+01 -0.106135D+02 -0.140559D+02 -0.364751D+02  0.333907D+02
      5   0.160959D+02 -0.113977D+02 -0.350725D+02  0.556457D+01 -0.329497D+01
      6  -0.992849D+01  0.150223D+02  0.303991D+02 -0.521835D+01  0.369025D+01
               246           247           248           249           250 
      1   0.602147D+01 -0.858274D+01  0.267942D+01 -0.756031D+00  0.102790D+02
      2   0.794667D+00 -0.734668D+01  0.171368D+02 -0.439369D+01  0.112408D+01
      3  -0.681614D+01  0.159294D+02 -0.198162D+02  0.514972D+01 -0.114030D+02
      4  -0.843509D+01  0.251823D+02 -0.286376D+02  0.809714D+01 -0.168544D+02
      5   0.810538D+01 -0.243807D+01  0.507568D+01 -0.384569D+01  0.933624D+01
      6  -0.732361D+01  0.361105D+01 -0.504586D+01  0.551536D+01 -0.786255D+01
               251           252           253           254           255 
      1  -0.252130D+01  0.348973D+01 -0.993899D+01  0.169973D+02 -0.247005D+01
      2  -0.895340D+01  0.182178D+00  0.449516D+01 -0.408625D+01  0.171732D+01
      3   0.114747D+02 -0.367191D+01  0.544382D+01 -0.129111D+02  0.752728D+00
      4   0.183351D+02 -0.109402D+02  0.228728D+02 -0.205548D+02 -0.410469D+00
      5  -0.757574D+01  0.518412D+01 -0.267974D+01 -0.272507D+00 -0.191259D+02
      6   0.815497D+01 -0.515677D+01  0.626946D+00 -0.418904D+00  0.287342D+01
               256           257           258           259           260 
      1   0.156122D+01 -0.324171D+01 -0.224441D+01 -0.114207D+01 -0.607881D+00
      2  -0.332250D+01 -0.992545D+01  0.228487D+00  0.306999D+00  0.184596D+01
      3   0.176129D+01  0.131672D+02  0.201593D+01  0.835074D+00 -0.123808D+01
      4  -0.309207D+02 -0.436433D+02  0.234783D+01  0.242111D+01  0.393044D+01
      5   0.116182D+01  0.195512D+01 -0.126481D+02  0.760571D+01 -0.548185D+01
      6  -0.995028D+00  0.573289D+00 -0.889261D+01  0.791561D+00  0.463674D+01
               261           262           263           264           265 
      1  -0.983474D+00 -0.231046D+02 -0.390673D+02  0.381801D+01 -0.585666D+02
      2  -0.668784D+01  0.164990D+02  0.176701D+02 -0.242621D+01  0.278982D+02
      3   0.767131D+01  0.660560D+01  0.213972D+02 -0.139180D+01  0.306684D+02
      4  -0.516430D+01 -0.438611D+02  0.950789D+01  0.124777D+01 -0.551759D+01
      5   0.380845D+01  0.394858D+01  0.111681D+01  0.692684D+01  0.132088D+01
      6   0.202865D+01 -0.117026D+01 -0.536977D+00 -0.253401D+01 -0.651065D-01
               266           267           268           269           270 
      1  -0.341947D+01  0.218669D+01  0.615524D+01  0.204209D+01  0.457798D+01
      2   0.303547D+01 -0.367846D+01 -0.205918D+01 -0.424536D+01 -0.548528D+01
      3   0.383997D+00  0.149176D+01 -0.409606D+01  0.220327D+01  0.907297D+00
      4   0.204615D+02  0.358089D+01  0.163889D+01  0.455632D+01  0.375388D+02
      5   0.401438D+01  0.331558D+02 -0.942314D+01  0.399054D+02 -0.914422D+01
      6  -0.202371D+01 -0.110292D+02  0.620496D+01 -0.153997D+02  0.310403D+01
               271           272           273           274           275 
      1   0.163216D+02  0.104204D+02 -0.166390D+01  0.415524D+02 -0.101979D+02
      2  -0.531761D+01 -0.337601D+01  0.544382D+00 -0.129266D+02  0.325981D+02
      3  -0.110040D+02 -0.704439D+01  0.111951D+01 -0.286257D+02 -0.224002D+02
      4   0.167741D+02  0.225706D+02 -0.574948D+00  0.380737D+02  0.755357D+02
      5  -0.111929D+01 -0.559472D+00  0.106337D+02 -0.784766D-01 -0.292611D+01
      6  -0.406202D+00  0.208862D+00  0.277548D+00  0.110210D+01 -0.236357D+00
               276           277           278           279           280 
      1   0.204037D+01 -0.326309D+01  0.985012D+00  0.800118D-01  0.824440D+01
      2  -0.110686D+01  0.163425D+01 -0.147083D+01  0.100817D+01 -0.488869D+01
      3  -0.933512D+00  0.162884D+01  0.485817D+00 -0.108818D+01 -0.335571D+01
      4  -0.300968D+01 -0.150468D+01 -0.424322D+01  0.172787D+02 -0.194586D+01
      5   0.174096D+02  0.133033D+02  0.161804D+02 -0.448137D+01  0.678842D+01
      6   0.149282D+02  0.370437D+01  0.111574D+02 -0.206912D+01 -0.290724D+01
               281           282           283           284           285 
      1  -0.246861D+01  0.745209D+01 -0.870405D+01  0.770488D+00  0.180294D+01
      2   0.134761D+01 -0.342180D+01  0.319366D+01  0.443145D+01 -0.223761D+01
      3   0.112101D+01 -0.403029D+01  0.551039D+01 -0.520194D+01  0.434677D+00
      4   0.247536D+01 -0.319125D+01  0.151540D+02 -0.287698D+02  0.154170D+02
      5  -0.261259D+01  0.438359D+01 -0.664654D+01  0.158960D+02 -0.223956D+02
      6   0.116019D+00 -0.155463D+00  0.324636D+01 -0.933086D+01  0.109496D+02
               286           287           288           289           290 
      1   0.189441D+02 -0.726061D+00 -0.173292D+01  0.999545D+02  0.199699D+02
      2  -0.108658D+02 -0.325091D+00 -0.508090D+01 -0.531374D+02 -0.117141D+02
      3  -0.807832D+01  0.105115D+01  0.681383D+01 -0.468171D+02 -0.825577D+01
      4  -0.132671D+02  0.221799D+02 -0.239931D+02  0.146620D+02  0.146077D+02
      5   0.183932D+02 -0.255891D+02  0.419451D+02 -0.154508D+01 -0.364946D+00
      6  -0.582906D+01  0.129768D+02 -0.148891D+02  0.870250D+00  0.391845D+00
               291           292           293           294           295 
      1  -0.243418D+01  0.436921D+02  0.154676D+02 -0.879590D+00 -0.542615D+01
      2   0.125815D+01 -0.232866D+02 -0.734947D+01  0.681516D+00  0.284197D+01
      3   0.117602D+01 -0.204055D+02 -0.811814D+01  0.198074D+00  0.258417D+01
      4  -0.400798D+00  0.176459D+02  0.130904D+02 -0.994502D+00 -0.395290D+00
      5   0.130637D+02 -0.527158D+00 -0.904958D+00  0.404421D+01  0.145345D+02
      6  -0.741642D+00  0.440117D+00  0.421034D+00  0.191986D+01 -0.180391D+00
               296           297           298           299           300 
      1  -0.792561D+00  0.973726D+01  0.693517D+01 -0.326523D+01 -0.675809D+01
      2   0.832856D+00 -0.594834D+01 -0.315420D+01  0.189798D+01  0.307461D+01
      3  -0.402947D-01 -0.378891D+01 -0.378097D+01  0.136725D+01  0.368348D+01
      4  -0.151000D+01 -0.510420D+00 -0.204736D+01  0.195381D+01  0.233307D+01
      5  -0.157319D+00 -0.730292D+00 -0.568057D+01  0.159471D+01  0.207459D+01
      6   0.279237D+01 -0.193871D+00  0.295192D+01  0.377316D+00  0.347448D+00
               301           302           303           304           305 
      1  -0.109018D+02 -0.457058D+00 -0.314552D+01 -0.173758D+02 -0.495803D+00
      2   0.339016D+01  0.927565D+01  0.518376D+01  0.837534D+01  0.392870D+01
      3   0.751167D+01 -0.881859D+01 -0.203824D+01  0.900047D+01 -0.343290D+01
      4   0.170038D+02 -0.369792D+02 -0.168931D+02  0.120401D+02 -0.244082D+02
      5   0.510376D+01 -0.178318D+02 -0.222759D+02  0.137837D+02 -0.247689D+02
      6  -0.307530D+01  0.103805D+02  0.103593D+02 -0.500397D+01  0.125385D+02
               306 
      1  -0.221875D+01
      2  -0.476740D+00
      3   0.269549D+01
      4  -0.230796D+02
      5  -0.297948D+02
      6   0.118907D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul  9 22:20:50 2021, MaxMem= 17179869184 cpu:           45570.3 elap:            3806.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.18913 -19.13519 -10.31530 -10.23566 -10.19581
 Alpha  occ. eigenvalues --  -10.19339 -10.19140 -10.18195 -10.17656 -10.17512
 Alpha  occ. eigenvalues --  -10.17340 -10.17290 -10.17278 -10.17263  -1.11080
 Alpha  occ. eigenvalues --   -1.02460  -0.88950  -0.78065  -0.76620  -0.76136
 Alpha  occ. eigenvalues --   -0.74051  -0.68440  -0.67908  -0.64002  -0.62692
 Alpha  occ. eigenvalues --   -0.57929  -0.53354  -0.52644  -0.49665  -0.48708
 Alpha  occ. eigenvalues --   -0.48477  -0.47037  -0.46917  -0.44706  -0.43756
 Alpha  occ. eigenvalues --   -0.42048  -0.41689  -0.41095  -0.40310  -0.39673
 Alpha  occ. eigenvalues --   -0.39446  -0.38267  -0.38040  -0.36695  -0.36375
 Alpha  occ. eigenvalues --   -0.35254  -0.33994  -0.33301  -0.32205  -0.32038
 Alpha  occ. eigenvalues --   -0.29911  -0.29675  -0.29106  -0.27755
 Alpha virt. eigenvalues --   -0.01348  -0.00534  -0.00177   0.00322   0.00469
 Alpha virt. eigenvalues --    0.01583   0.01952   0.02341   0.02425   0.02737
 Alpha virt. eigenvalues --    0.03598   0.04101   0.04320   0.04819   0.05206
 Alpha virt. eigenvalues --    0.05408   0.05997   0.06087   0.06560   0.06966
 Alpha virt. eigenvalues --    0.07158   0.08247   0.08457   0.08601   0.08851
 Alpha virt. eigenvalues --    0.08914   0.09544   0.09608   0.09921   0.10185
 Alpha virt. eigenvalues --    0.10382   0.10596   0.10938   0.11180   0.11356
 Alpha virt. eigenvalues --    0.11523   0.11768   0.12084   0.12461   0.12631
 Alpha virt. eigenvalues --    0.12975   0.13058   0.13113   0.13300   0.13648
 Alpha virt. eigenvalues --    0.14100   0.14442   0.14925   0.15076   0.15655
 Alpha virt. eigenvalues --    0.16231   0.16470   0.16649   0.16742   0.16905
 Alpha virt. eigenvalues --    0.17384   0.17928   0.18300   0.18529   0.19103
 Alpha virt. eigenvalues --    0.19225   0.19401   0.19811   0.20122   0.20980
 Alpha virt. eigenvalues --    0.21141   0.21540   0.22297   0.22333   0.22667
 Alpha virt. eigenvalues --    0.22905   0.23404   0.23650   0.23818   0.24003
 Alpha virt. eigenvalues --    0.24609   0.24748   0.25167   0.26206   0.26403
 Alpha virt. eigenvalues --    0.26701   0.27186   0.27391   0.27971   0.28494
 Alpha virt. eigenvalues --    0.29196   0.29477   0.29628   0.29989   0.30183
 Alpha virt. eigenvalues --    0.30373   0.30629   0.31009   0.31768   0.31975
 Alpha virt. eigenvalues --    0.32429   0.32890   0.33190   0.33467   0.34172
 Alpha virt. eigenvalues --    0.34439   0.34741   0.35220   0.35599   0.35916
 Alpha virt. eigenvalues --    0.36503   0.36762   0.36979   0.37528   0.38129
 Alpha virt. eigenvalues --    0.38339   0.38921   0.39248   0.40136   0.40471
 Alpha virt. eigenvalues --    0.40926   0.40974   0.41155   0.41578   0.41833
 Alpha virt. eigenvalues --    0.42055   0.42392   0.42884   0.42932   0.43496
 Alpha virt. eigenvalues --    0.44157   0.44525   0.45175   0.45844   0.46016
 Alpha virt. eigenvalues --    0.46603   0.47112   0.47302   0.47533   0.48551
 Alpha virt. eigenvalues --    0.49151   0.49729   0.50154   0.50939   0.51302
 Alpha virt. eigenvalues --    0.51504   0.51956   0.53067   0.53276   0.53901
 Alpha virt. eigenvalues --    0.54249   0.54666   0.55241   0.55485   0.55691
 Alpha virt. eigenvalues --    0.56091   0.56692   0.56781   0.57375   0.57802
 Alpha virt. eigenvalues --    0.58393   0.58674   0.58994   0.59515   0.59621
 Alpha virt. eigenvalues --    0.59768   0.60035   0.60864   0.61361   0.61572
 Alpha virt. eigenvalues --    0.62056   0.62843   0.63349   0.63861   0.63980
 Alpha virt. eigenvalues --    0.64869   0.65725   0.65778   0.66428   0.66844
 Alpha virt. eigenvalues --    0.67155   0.67278   0.67746   0.67938   0.68629
 Alpha virt. eigenvalues --    0.69345   0.69397   0.70519   0.70622   0.71286
 Alpha virt. eigenvalues --    0.71593   0.72552   0.72892   0.73532   0.73729
 Alpha virt. eigenvalues --    0.73908   0.74588   0.75119   0.75527   0.75892
 Alpha virt. eigenvalues --    0.76097   0.76262   0.76494   0.77731   0.78382
 Alpha virt. eigenvalues --    0.79426   0.79557   0.81122   0.81435   0.81765
 Alpha virt. eigenvalues --    0.82496   0.83033   0.83392   0.84405   0.84656
 Alpha virt. eigenvalues --    0.85227   0.85485   0.86302   0.86913   0.87433
 Alpha virt. eigenvalues --    0.87754   0.88378   0.88890   0.89214   0.90249
 Alpha virt. eigenvalues --    0.90909   0.91797   0.92370   0.93199   0.93639
 Alpha virt. eigenvalues --    0.94168   0.94599   0.95297   0.96134   0.96507
 Alpha virt. eigenvalues --    0.97641   0.97886   0.99464   1.00137   1.00626
 Alpha virt. eigenvalues --    1.02857   1.03438   1.04457   1.04798   1.06147
 Alpha virt. eigenvalues --    1.07495   1.08062   1.08693   1.09801   1.11395
 Alpha virt. eigenvalues --    1.12804   1.13014   1.13759   1.14420   1.14989
 Alpha virt. eigenvalues --    1.15918   1.17167   1.17434   1.17757   1.18839
 Alpha virt. eigenvalues --    1.19096   1.20331   1.22120   1.23680   1.24921
 Alpha virt. eigenvalues --    1.25109   1.25878   1.26860   1.27060   1.28710
 Alpha virt. eigenvalues --    1.30572   1.31402   1.32015   1.33930   1.34325
 Alpha virt. eigenvalues --    1.35123   1.37616   1.37896   1.38797   1.39616
 Alpha virt. eigenvalues --    1.42143   1.42482   1.43281   1.46446   1.48108
 Alpha virt. eigenvalues --    1.48280   1.50943   1.51208   1.51442   1.51992
 Alpha virt. eigenvalues --    1.52675   1.53274   1.54520   1.54999   1.56146
 Alpha virt. eigenvalues --    1.57272   1.58063   1.59215   1.60264   1.60597
 Alpha virt. eigenvalues --    1.61224   1.61986   1.63272   1.63832   1.64050
 Alpha virt. eigenvalues --    1.64730   1.65506   1.67190   1.68517   1.69697
 Alpha virt. eigenvalues --    1.70335   1.70593   1.71477   1.71762   1.72925
 Alpha virt. eigenvalues --    1.73939   1.75236   1.75748   1.77235   1.77717
 Alpha virt. eigenvalues --    1.79728   1.80483   1.81376   1.82517   1.84198
 Alpha virt. eigenvalues --    1.84628   1.85607   1.86091   1.86841   1.87205
 Alpha virt. eigenvalues --    1.88050   1.88969   1.89540   1.90994   1.91462
 Alpha virt. eigenvalues --    1.92232   1.93010   1.94446   1.95480   1.95812
 Alpha virt. eigenvalues --    1.96907   1.97169   1.98058   1.98248   1.98592
 Alpha virt. eigenvalues --    1.99306   2.00697   2.02600   2.03313   2.04598
 Alpha virt. eigenvalues --    2.04961   2.06127   2.06236   2.07086   2.08084
 Alpha virt. eigenvalues --    2.10072   2.11133   2.11843   2.11919   2.13639
 Alpha virt. eigenvalues --    2.14002   2.14728   2.15919   2.17750   2.19277
 Alpha virt. eigenvalues --    2.19650   2.20755   2.21748   2.22269   2.23666
 Alpha virt. eigenvalues --    2.23985   2.25141   2.25437   2.26193   2.27738
 Alpha virt. eigenvalues --    2.28455   2.29169   2.31013   2.33458   2.34115
 Alpha virt. eigenvalues --    2.35052   2.35565   2.37069   2.38664   2.39202
 Alpha virt. eigenvalues --    2.40216   2.41183   2.41309   2.43129   2.44772
 Alpha virt. eigenvalues --    2.45644   2.46243   2.47035   2.47476   2.48592
 Alpha virt. eigenvalues --    2.50597   2.51307   2.53253   2.54371   2.54873
 Alpha virt. eigenvalues --    2.55615   2.57191   2.58357   2.59576   2.60583
 Alpha virt. eigenvalues --    2.61859   2.63284   2.64652   2.65738   2.66523
 Alpha virt. eigenvalues --    2.67875   2.68653   2.68826   2.69988   2.71836
 Alpha virt. eigenvalues --    2.73076   2.75553   2.76922   2.78993   2.80378
 Alpha virt. eigenvalues --    2.80870   2.83006   2.85883   2.87348   2.89467
 Alpha virt. eigenvalues --    2.93791   2.96244   3.00102   3.03918   3.06226
 Alpha virt. eigenvalues --    3.09579   3.10157   3.13175   3.22246   3.23402
 Alpha virt. eigenvalues --    3.37849   3.40288   3.44119   3.44466   3.45136
 Alpha virt. eigenvalues --    3.51420   3.52458   3.59463   3.62139   3.63963
 Alpha virt. eigenvalues --    3.67202   3.77683   3.82876   3.92127   3.99060
 Alpha virt. eigenvalues --    4.42550   5.06212   5.58317
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   10.280029  -4.279354  -3.639953   0.312947  -0.102021   3.486800
     2  C   -4.279354  13.778370   2.782617  -0.823449  -2.187122  -2.682722
     3  C   -3.639953   2.782617  20.950118  -5.401677   1.141237  -3.334072
     4  C    0.312947  -0.823449  -5.401677  13.672255  -5.879515   1.637228
     5  C   -0.102021  -2.187122   1.141237  -5.879515  22.423860 -11.128777
     6  C    3.486800  -2.682722  -3.334072   1.637228 -11.128777  34.466162
     7  H   -0.964983   0.573649   0.767641   0.009439  -0.084816  -0.090663
     8  H   -0.936572   0.750459  -0.558451   0.230664   0.028740  -0.639914
     9  H    0.343161  -1.266874   0.000336  -0.156097   0.132430   0.335786
    10  H    0.301233  -1.449870  -0.373658   0.069526   0.668803  -0.527546
    11  C   -0.272534   0.324448  -4.412278   0.617578   2.155730  -9.028926
    12  H    0.571863  -0.139483  -3.885087   0.757009   0.219269   0.054545
    13  H    0.034121  -0.216343   0.840186  -1.513169   1.053149  -0.016194
    14  H    0.124447   0.388742  -0.649786  -0.657523  -0.162163   0.008168
    15  H    0.011665   0.172128  -0.403046   1.333441  -3.133262  -0.363412
    16  O   -0.146465   0.061294   0.051296   0.618479  -0.978887  -0.827802
    17  C    0.142917  -1.278847   0.187004   0.531786   0.304007  -2.820158
    18  C   -0.091749  -0.257721   0.040293  -0.250991   0.232936   0.382862
    19  C   -0.215604   0.316673   0.272611  -0.308917  -0.575643   0.123850
    20  H    0.083985  -0.010716  -0.171027   0.091766   0.286946  -0.036405
    21  H   -0.025806  -0.002286   0.189030  -0.130752   0.256667  -0.104336
    22  H   -0.091531   0.026349   0.114203   0.073213  -0.290480  -0.065267
    23  H   -0.243400  -0.049424  -0.074099   0.069210   0.015093  -0.444580
    24  H    0.261677  -0.128888  -0.216161   0.114190  -0.058690   0.437776
    25  H   -0.095626   0.163997   0.116626  -0.129837   0.223522  -0.402710
    26  H    0.024640   0.143400  -0.152746  -0.457497  -0.186052   0.148230
    27  H   -0.089564   0.017592   0.183754  -0.129129   0.761713  -1.257084
    28  H    0.109311  -0.152233  -0.237805   0.419426  -0.225533   0.599208
    29  C    0.015872  -0.249197  -0.154459   0.257136  -0.039806  -1.221587
    30  C    0.010221  -0.053044  -0.005683  -0.066323   0.067938  -0.024928
    31  O   -0.000593  -0.001687  -0.023545   0.084835  -0.009480   0.074436
    32  H    0.002857  -0.007102   0.010084  -0.034858   0.005436   0.043294
    33  H    0.003498  -0.007035  -0.005928   0.026702   0.017065  -0.000726
    34  H   -0.002509  -0.006405   0.002428  -0.032786   0.014373  -0.037310
               7          8          9         10         11         12
     1  C   -0.964983  -0.936572   0.343161   0.301233  -0.272534   0.571863
     2  C    0.573649   0.750459  -1.266874  -1.449870   0.324448  -0.139483
     3  C    0.767641  -0.558451   0.000336  -0.373658  -4.412278  -3.885087
     4  C    0.009439   0.230664  -0.156097   0.069526   0.617578   0.757009
     5  C   -0.084816   0.028740   0.132430   0.668803   2.155730   0.219269
     6  C   -0.090663  -0.639914   0.335786  -0.527546  -9.028926   0.054545
     7  H    3.483511  -1.252010   0.360663  -0.723486  -0.317672  -0.154142
     8  H   -1.252010   3.510757  -0.453862   0.353317   0.421715   0.100858
     9  H    0.360663  -0.453862   4.159793  -1.584854  -0.371596  -0.002918
    10  H   -0.723486   0.353317  -1.584854   4.488358   0.863164   0.004023
    11  C   -0.317672   0.421715  -0.371596   0.863164  23.282131   0.274605
    12  H   -0.154142   0.100858  -0.002918   0.004023   0.274605   4.217324
    13  H   -0.029267   0.075636  -0.023653   0.004341  -0.127200  -0.221260
    14  H    0.099578  -0.109721   0.074086  -0.020088   0.038229   0.081880
    15  H    0.009652  -0.035013   0.102627   0.003229   0.037405   0.010735
    16  O   -0.027202   0.050418  -0.271116   0.193585   0.448543  -0.006755
    17  C    0.057786  -0.080488   0.150808  -0.341643  -0.941928  -0.044973
    18  C   -0.212638   0.151330   0.126485  -0.193151  -2.984175   0.116889
    19  C    0.058104  -0.048278  -0.039435   0.053515  -1.871204  -0.021215
    20  H   -0.003419   0.000327  -0.019248  -0.011782   0.015105   0.003368
    21  H    0.021272  -0.012523   0.062799  -0.048604   0.087291  -0.002470
    22  H   -0.004859   0.001236  -0.001736   0.007382  -0.029077  -0.006253
    23  H   -0.055466   0.029230   0.041646  -0.032237   0.737507  -0.003850
    24  H   -0.020265   0.035000  -0.020211   0.030942  -0.296871   0.010909
    25  H    0.043076  -0.019173   0.032277  -0.040164   0.259960   0.028609
    26  H    0.005548   0.004008  -0.003254   0.000038   0.555088   0.025117
    27  H   -0.018670   0.007007  -0.010245   0.024513   0.488942   0.015170
    28  H    0.022937  -0.008621   0.006448  -0.015004  -0.144020   0.001110
    29  C    0.003490  -0.000990  -0.098844   0.059158   0.036171   0.016603
    30  C    0.004901  -0.018079   0.031135  -0.011097  -0.057297  -0.000087
    31  O    0.000589  -0.003649   0.002433  -0.000701   0.003017  -0.000534
    32  H    0.000484  -0.000472   0.006880  -0.000371  -0.005492   0.000240
    33  H   -0.000008   0.001453  -0.008366  -0.000055   0.002821  -0.000319
    34  H    0.000987  -0.006420   0.005423   0.000498  -0.005100   0.000673
              13         14         15         16         17         18
     1  C    0.034121   0.124447   0.011665  -0.146465   0.142917  -0.091749
     2  C   -0.216343   0.388742   0.172128   0.061294  -1.278847  -0.257721
     3  C    0.840186  -0.649786  -0.403046   0.051296   0.187004   0.040293
     4  C   -1.513169  -0.657523   1.333441   0.618479   0.531786  -0.250991
     5  C    1.053149  -0.162163  -3.133262  -0.978887   0.304007   0.232936
     6  C   -0.016194   0.008168  -0.363412  -0.827802  -2.820158   0.382862
     7  H   -0.029267   0.099578   0.009652  -0.027202   0.057786  -0.212638
     8  H    0.075636  -0.109721  -0.035013   0.050418  -0.080488   0.151330
     9  H   -0.023653   0.074086   0.102627  -0.271116   0.150808   0.126485
    10  H    0.004341  -0.020088   0.003229   0.193585  -0.341643  -0.193151
    11  C   -0.127200   0.038229   0.037405   0.448543  -0.941928  -2.984175
    12  H   -0.221260   0.081880   0.010735  -0.006755  -0.044973   0.116889
    13  H    3.227700  -0.994358  -0.597774   0.071967   0.091795   0.094295
    14  H   -0.994358   3.482120   0.317414  -0.200623  -0.149518  -0.105142
    15  H   -0.597774   0.317414   5.088472  -0.316763  -0.136955  -0.084845
    16  O    0.071967  -0.200623  -0.316763  10.096304  -0.017061  -0.037008
    17  C    0.091795  -0.149518  -0.136955  -0.017061   8.906832   0.037023
    18  C    0.094295  -0.105142  -0.084845  -0.037008   0.037023   8.019213
    19  C   -0.248082   0.203038   0.209163  -0.018560  -0.254222  -0.806538
    20  H    0.000975  -0.011248   0.025267  -0.069005  -0.082245   0.049099
    21  H   -0.003045  -0.004599   0.021722   0.018154  -0.483383  -0.116609
    22  H    0.016398  -0.000057  -0.114522   0.063342   0.213854   0.055631
    23  H    0.016960  -0.011188  -0.000606   0.004686   0.155148  -0.143912
    24  H    0.018989  -0.006889  -0.019200   0.006534  -0.022624  -0.083346
    25  H   -0.020670   0.006987   0.018229  -0.010155  -0.233320  -0.056562
    26  H   -0.028574   0.021120  -0.053708   0.000697  -0.065696   0.157749
    27  H    0.033080  -0.019581  -0.011463   0.019286  -0.062131   0.037222
    28  H    0.000457   0.033033   0.011356  -0.010282   0.051738  -0.234370
    29  C    0.023771  -0.096371  -0.097455   0.176526   0.103892  -0.069154
    30  C   -0.012149  -0.015262  -0.024881  -0.258543   0.057785  -0.005226
    31  O    0.003293  -0.001238   0.004573  -0.098893   0.010098   0.000762
    32  H   -0.003737   0.001907   0.001216  -0.172604  -0.013687  -0.001424
    33  H    0.002566  -0.005170  -0.005387   0.220654   0.000650   0.000174
    34  H    0.002452  -0.008913   0.007718  -0.208439   0.010421  -0.001043
              19         20         21         22         23         24
     1  C   -0.215604   0.083985  -0.025806  -0.091531  -0.243400   0.261677
     2  C    0.316673  -0.010716  -0.002286   0.026349  -0.049424  -0.128888
     3  C    0.272611  -0.171027   0.189030   0.114203  -0.074099  -0.216161
     4  C   -0.308917   0.091766  -0.130752   0.073213   0.069210   0.114190
     5  C   -0.575643   0.286946   0.256667  -0.290480   0.015093  -0.058690
     6  C    0.123850  -0.036405  -0.104336  -0.065267  -0.444580   0.437776
     7  H    0.058104  -0.003419   0.021272  -0.004859  -0.055466  -0.020265
     8  H   -0.048278   0.000327  -0.012523   0.001236   0.029230   0.035000
     9  H   -0.039435  -0.019248   0.062799  -0.001736   0.041646  -0.020211
    10  H    0.053515  -0.011782  -0.048604   0.007382  -0.032237   0.030942
    11  C   -1.871204   0.015105   0.087291  -0.029077   0.737507  -0.296871
    12  H   -0.021215   0.003368  -0.002470  -0.006253  -0.003850   0.010909
    13  H   -0.248082   0.000975  -0.003045   0.016398   0.016960   0.018989
    14  H    0.203038  -0.011248  -0.004599  -0.000057  -0.011188  -0.006889
    15  H    0.209163   0.025267   0.021722  -0.114522  -0.000606  -0.019200
    16  O   -0.018560  -0.069005   0.018154   0.063342   0.004686   0.006534
    17  C   -0.254222  -0.082245  -0.483383   0.213854   0.155148  -0.022624
    18  C   -0.806538   0.049099  -0.116609   0.055631  -0.143912  -0.083346
    19  C    7.550102   0.015840   0.040965  -0.097034   0.060289  -0.186463
    20  H    0.015840   2.267410  -0.654815  -0.557650   0.022589  -0.014580
    21  H    0.040965  -0.654815   2.639696  -0.557245  -0.060660   0.029051
    22  H   -0.097034  -0.557650  -0.557245   2.462698   0.024267   0.007579
    23  H    0.060289   0.022589  -0.060660   0.024267   2.741249  -0.705246
    24  H   -0.186463  -0.014580   0.029051   0.007579  -0.705246   2.708044
    25  H    0.057359   0.013201   0.046715  -0.034677  -0.691461  -0.599745
    26  H   -0.058639   0.009709   0.025615  -0.061396  -0.067879   0.047830
    27  H   -0.114461   0.017793  -0.018831   0.049703   0.052250   0.001788
    28  H   -0.294288  -0.011907   0.008616   0.029329   0.038545  -0.028513
    29  C    0.013042  -0.044176   0.045991  -0.017599  -0.004583   0.002510
    30  C   -0.007677  -0.022468   0.010373  -0.004972  -0.001954   0.000335
    31  O    0.009023   0.000800  -0.000176   0.000663   0.000265  -0.000003
    32  H    0.001368  -0.014685   0.003697  -0.001061  -0.000454   0.000154
    33  H   -0.000641   0.000351  -0.000025  -0.000392   0.000025   0.000050
    34  H   -0.001745   0.002387   0.001168  -0.001331  -0.000315  -0.000127
              25         26         27         28         29         30
     1  C   -0.095626   0.024640  -0.089564   0.109311   0.015872   0.010221
     2  C    0.163997   0.143400   0.017592  -0.152233  -0.249197  -0.053044
     3  C    0.116626  -0.152746   0.183754  -0.237805  -0.154459  -0.005683
     4  C   -0.129837  -0.457497  -0.129129   0.419426   0.257136  -0.066323
     5  C    0.223522  -0.186052   0.761713  -0.225533  -0.039806   0.067938
     6  C   -0.402710   0.148230  -1.257084   0.599208  -1.221587  -0.024928
     7  H    0.043076   0.005548  -0.018670   0.022937   0.003490   0.004901
     8  H   -0.019173   0.004008   0.007007  -0.008621  -0.000990  -0.018079
     9  H    0.032277  -0.003254  -0.010245   0.006448  -0.098844   0.031135
    10  H   -0.040164   0.000038   0.024513  -0.015004   0.059158  -0.011097
    11  C    0.259960   0.555088   0.488942  -0.144020   0.036171  -0.057297
    12  H    0.028609   0.025117   0.015170   0.001110   0.016603  -0.000087
    13  H   -0.020670  -0.028574   0.033080   0.000457   0.023771  -0.012149
    14  H    0.006987   0.021120  -0.019581   0.033033  -0.096371  -0.015262
    15  H    0.018229  -0.053708  -0.011463   0.011356  -0.097455  -0.024881
    16  O   -0.010155   0.000697   0.019286  -0.010282   0.176526  -0.258543
    17  C   -0.233320  -0.065696  -0.062131   0.051738   0.103892   0.057785
    18  C   -0.056562   0.157749   0.037222  -0.234370  -0.069154  -0.005226
    19  C    0.057359  -0.058639  -0.114461  -0.294288   0.013042  -0.007677
    20  H    0.013201   0.009709   0.017793  -0.011907  -0.044176  -0.022468
    21  H    0.046715   0.025615  -0.018831   0.008616   0.045991   0.010373
    22  H   -0.034677  -0.061396   0.049703   0.029329  -0.017599  -0.004972
    23  H   -0.691461  -0.067879   0.052250   0.038545  -0.004583  -0.001954
    24  H   -0.599745   0.047830   0.001788  -0.028513   0.002510   0.000335
    25  H    2.631842   0.060272  -0.096195  -0.008507  -0.002240  -0.000112
    26  H    0.060272   2.910546  -0.644098  -0.794060  -0.067542  -0.003977
    27  H   -0.096195  -0.644098   2.558543  -0.534855   0.028152  -0.001669
    28  H   -0.008507  -0.794060  -0.534855   2.667318   0.009878   0.001045
    29  C   -0.002240  -0.067542   0.028152   0.009878   6.767962   0.035454
    30  C   -0.000112  -0.003977  -0.001669   0.001045   0.035454   4.853837
    31  O    0.000004  -0.006562  -0.000169   0.001168   0.145577  -0.108136
    32  H   -0.000238   0.000801  -0.000109   0.000234  -0.012325   0.318346
    33  H   -0.000002  -0.000638   0.000169   0.000016   0.136106  -0.040484
    34  H    0.000076  -0.001239   0.000131  -0.000138   0.022080   0.367959
              31         32         33         34
     1  C   -0.000593   0.002857   0.003498  -0.002509
     2  C   -0.001687  -0.007102  -0.007035  -0.006405
     3  C   -0.023545   0.010084  -0.005928   0.002428
     4  C    0.084835  -0.034858   0.026702  -0.032786
     5  C   -0.009480   0.005436   0.017065   0.014373
     6  C    0.074436   0.043294  -0.000726  -0.037310
     7  H    0.000589   0.000484  -0.000008   0.000987
     8  H   -0.003649  -0.000472   0.001453  -0.006420
     9  H    0.002433   0.006880  -0.008366   0.005423
    10  H   -0.000701  -0.000371  -0.000055   0.000498
    11  C    0.003017  -0.005492   0.002821  -0.005100
    12  H   -0.000534   0.000240  -0.000319   0.000673
    13  H    0.003293  -0.003737   0.002566   0.002452
    14  H   -0.001238   0.001907  -0.005170  -0.008913
    15  H    0.004573   0.001216  -0.005387   0.007718
    16  O   -0.098893  -0.172604   0.220654  -0.208439
    17  C    0.010098  -0.013687   0.000650   0.010421
    18  C    0.000762  -0.001424   0.000174  -0.001043
    19  C    0.009023   0.001368  -0.000641  -0.001745
    20  H    0.000800  -0.014685   0.000351   0.002387
    21  H   -0.000176   0.003697  -0.000025   0.001168
    22  H    0.000663  -0.001061  -0.000392  -0.001331
    23  H    0.000265  -0.000454   0.000025  -0.000315
    24  H   -0.000003   0.000154   0.000050  -0.000127
    25  H    0.000004  -0.000238  -0.000002   0.000076
    26  H   -0.006562   0.000801  -0.000638  -0.001239
    27  H   -0.000169  -0.000109   0.000169   0.000131
    28  H    0.001168   0.000234   0.000016  -0.000138
    29  C    0.145577  -0.012325   0.136106   0.022080
    30  C   -0.108136   0.318346  -0.040484   0.367959
    31  O    8.398438   0.021265  -0.026476   0.024000
    32  H    0.021265   1.533917  -0.277351  -0.197315
    33  H   -0.026476  -0.277351   1.555532  -0.280352
    34  H    0.024000  -0.197315  -0.280352   1.528614
 Mulliken charges:
               1
     1  C    1.077019
     2  C    1.750083
     3  C    2.049999
     4  C    1.045691
     5  C    1.033335
     6  C   -0.743226
     7  H   -0.563738
     8  H   -0.567918
     9  H   -0.642907
    10  H   -0.751312
    11  C   -3.784079
    12  H   -1.021455
    13  H   -0.556657
    14  H   -0.651312
    15  H   -0.987721
    16  O   -0.425602
    17  C    2.015336
    18  C    2.233638
    19  C    2.183701
    20  H   -0.171541
    21  H   -0.282659
    22  H   -0.208707
    23  H   -0.417646
    24  H   -0.305535
    25  H   -0.261357
    26  H   -0.486849
    27  H   -0.288551
    28  H   -0.311038
    29  C    0.276956
    30  C    0.984719
    31  O   -0.503396
    32  H   -0.208895
    33  H   -0.308477
    34  H   -0.199899
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.054637
     2  C    0.355864
     3  C    1.028544
     4  C   -0.162277
     5  C    0.045614
     6  C   -0.743226
    11  C   -3.784079
    16  O   -0.425602
    17  C    1.352429
    18  C    1.249100
    19  C    1.097263
    29  C    0.276956
    30  C    0.267447
    31  O   -0.503396
 Electronic spatial extent (au):  <R**2>=           2856.8077
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.0541    Y=             -1.7645    Z=              0.1091  Tot=              2.0583
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -86.8903   YY=            -91.9530   ZZ=            -87.0067
   XY=             -8.1492   XZ=              0.6227   YZ=              0.3001
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.7263   YY=             -3.3363   ZZ=              1.6100
   XY=             -8.1492   XZ=              0.6227   YZ=              0.3001
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             34.4304  YYY=             -3.0852  ZZZ=             -0.2731  XYY=             -6.2172
  XXY=            -27.3618  XXZ=              1.1959  XZZ=              9.3779  YZZ=              1.5217
  YYZ=              0.1295  XYZ=              2.4379
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2454.3359 YYYY=           -725.2855 ZZZZ=           -686.8917 XXXY=            -82.9644
 XXXZ=             18.1779 YYYX=             -9.9788 YYYZ=             -4.3107 ZZZX=             -1.6552
 ZZZY=              0.9443 XXYY=           -575.9584 XXZZ=           -524.6468 YYZZ=           -231.0557
 XXYZ=             -1.0111 YYXZ=              3.8883 ZZXY=             -3.1333
 N-N= 1.014850156373D+03 E-N=-3.471285906783D+03  KE= 6.162335094267D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul  9 22:20:51 2021, MaxMem= 17179869184 cpu:               4.2 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-3.99881884D-01-6.82884299D-01 4.29922905D-02
 Polarizability= 1.58276184D+02-2.40980466D+00 1.33105099D+02
                -7.47736341D-01-3.61990215D-01 1.27567661D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.3707    0.3711       -1.2509   -1.2504
 2     -0.3707   -0.3711        0.2201    0.2169      -13.7319  -13.7381
 3      1.2509    1.2504       16.7226   16.7251       -0.2155   -0.2169
 4     -0.2201   -0.2169        0.0000    0.0000        1.2517    1.2504
 5     -2.9907   -2.9870       -1.2517   -1.2504        0.3629    0.3711
 6      0.2155    0.2169       -0.3629   -0.3711        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.1134   -1.1134       -3.7513   -3.7513
 2     -0.6506   -0.6506        0.0000    0.0000       -3.7513   -3.7513
 3     -0.6506   -0.6506       -1.1134   -1.1134        0.0000    0.0000
 4     -1.1134   -1.1134        0.6506    0.6506      -41.2143  -41.2143
 5      3.7513    3.7513       50.1753   50.1753       -0.6506   -0.6506
 6     -8.9610   -8.9610       -3.7513   -3.7513        1.1134    1.1134
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0027    0.0000       -1.6066   -1.4846        5.0480    5.0018
 2      1.4570    1.4846       -0.8257   -0.8674       54.9393   54.9524
 3     -5.0955   -5.0018      -66.9229  -66.9004        0.8669    0.8674
 4      0.8522    0.8674        0.0034    0.0000       -4.8788   -5.0018
 5     12.0214   11.9480        4.8318    5.0018       -1.4267   -1.4846
 6     -0.8773   -0.8674        1.4977    1.4846        0.0342    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0995    0.0000        5.3754    5.1840       -0.5175   -0.4491
 2     -5.1513   -5.1840      -27.5586  -27.4036        8.9712    8.8258
 3      0.6332    0.4491        7.7855    7.8812       27.3931   27.4036
 4     27.3699   27.4036       -0.0707    0.0000        0.4613    0.4491
 5    -17.0442  -16.7069       -0.0254   -0.4491        5.1148    5.1840
 6    -27.4264  -27.4036       -5.0941   -5.1840       -0.0826    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     10.8910   10.9536      -21.2077  -21.0279        5.8150    6.0081
 2     53.9635   53.9631      -10.9144  -10.7226        5.8637    6.0081
 3     53.8148   53.9631      -21.4207  -21.0279       11.2355   11.3116
 4    -10.1299  -10.3053      -43.1136  -43.0096       18.5448   18.6244
 5      5.4576    5.3035       12.3365   12.4475       42.5470   43.0096
 6    -31.4051  -31.0720       -4.8336   -5.3035       10.2633   10.3053
 Full mass-weighted force constant matrix:
 Low frequencies ---  -11.7112   -3.4433   -0.0003    0.0004    0.0007    8.6356
 Low frequencies ---   40.5012   50.2144   73.1277
 Diagonal vibrational polarizability:
       23.6480820       5.0507442      43.4344238
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     40.4956                50.1465                73.1139
 Red. masses --      1.2950                 4.3860                 2.4626
 Frc consts  --      0.0013                 0.0065                 0.0078
 IR Inten    --      1.9027                 0.3207                 1.2786
 RamAct Fr= 1--      0.5517                 0.9575                 0.1716
  Dep-P Fr= 1--      0.7484                 0.7081                 0.7368
  Dep-U Fr= 1--      0.8561                 0.8291                 0.8485
 Alpha2 Fr= 1--      0.0000                 0.0007                 0.0000
 Beta2  Fr= 1--      0.0787                 0.1323                 0.0243
 AlphaG Fr= 1--      0.0002                 0.0020                 0.0004
 Gamma2 Fr= 1--      0.0171                 0.0295                 0.0183
 Delta2 Fr= 1--      0.0161                 0.0527                -0.0109
 Raman1 Fr= 1--       2.207                  3.830                  0.687
 ROA1   Fr= 1--       2.155                  4.514                  1.411
 CID1   Fr= 1--       0.976                  1.179                  2.055
 Raman2 Fr= 1--       0.945                  1.588                  0.291
 ROA2   Fr= 1--       0.281                  0.286                  0.528
 CID2   Fr= 1--       0.298                  0.180                  1.812
 Raman3 Fr= 1--       1.889                  3.175                  0.582
 ROA3   Fr= 1--       2.155                  4.514                  1.411
 CID3   Fr= 1--       1.140                  1.422                  2.422
 RC180  Fr= 1--       0.712                  0.658                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.02  -0.02    -0.15  -0.04  -0.01     0.10  -0.02   0.03
     2   6     0.00   0.00  -0.02    -0.04  -0.02  -0.04     0.03   0.01   0.06
     3   6     0.00   0.02   0.01    -0.10  -0.03  -0.03     0.01  -0.02  -0.00
     4   6     0.00   0.01   0.01    -0.07  -0.06  -0.13    -0.02   0.06   0.02
     5   6     0.00  -0.00   0.01     0.00  -0.02  -0.14    -0.00   0.04   0.01
     6   6    -0.00  -0.01  -0.00     0.03  -0.01  -0.06     0.00   0.04   0.02
     7   1    -0.00   0.03  -0.02    -0.18  -0.02   0.09     0.14  -0.07  -0.03
     8   1    -0.00   0.03  -0.02    -0.22  -0.07  -0.07     0.16   0.01   0.07
     9   1     0.00   0.01  -0.03    -0.04  -0.02  -0.11     0.03   0.00   0.11
    10   1     0.00  -0.00  -0.03    -0.00  -0.01   0.03     0.01   0.04   0.05
    11   6     0.00   0.00   0.01     0.01   0.01   0.01    -0.02  -0.01  -0.01
    12   1     0.00   0.03   0.01    -0.13  -0.03   0.01    -0.00  -0.06  -0.02
    13   1     0.01   0.02   0.03    -0.05  -0.07  -0.18    -0.10   0.07   0.06
    14   1     0.00   0.02   0.01    -0.13  -0.11  -0.15     0.01   0.13   0.01
    15   1    -0.00  -0.01   0.02     0.03  -0.00  -0.18     0.03   0.03   0.02
    16   8     0.00  -0.00   0.01     0.01  -0.01  -0.18    -0.02   0.01  -0.06
    17   6    -0.00  -0.03  -0.01     0.13   0.01  -0.06    -0.01   0.09   0.03
    18   6     0.00  -0.00  -0.00     0.01   0.03   0.12    -0.00  -0.06  -0.04
    19   6     0.00  -0.01   0.03     0.07   0.02  -0.02    -0.08  -0.01  -0.03
    20   1    -0.00  -0.04  -0.02     0.15   0.00  -0.11     0.01   0.13   0.06
    21   1    -0.00  -0.04  -0.02     0.15   0.03   0.01     0.01   0.07   0.04
    22   1    -0.00  -0.04   0.01     0.18   0.02  -0.07    -0.04   0.11  -0.00
    23   1     0.00   0.00  -0.01    -0.02   0.02   0.19     0.02  -0.04  -0.11
    24   1     0.00   0.00   0.00    -0.02   0.01   0.14    -0.02  -0.04  -0.00
    25   1    -0.00  -0.01  -0.00     0.08   0.09   0.14     0.00  -0.13  -0.04
    26   1     0.00  -0.00   0.03     0.05   0.01  -0.14    -0.06  -0.02   0.09
    27   1     0.01  -0.02   0.03     0.19   0.05   0.01    -0.21  -0.02  -0.06
    28   1    -0.00  -0.00   0.04     0.01   0.00   0.06    -0.02  -0.01  -0.12
    29   6    -0.00  -0.00  -0.02     0.02   0.02   0.08     0.00  -0.03  -0.01
    30   6     0.00   0.01   0.09     0.02   0.03   0.13    -0.04  -0.09  -0.17
    31   8    -0.01  -0.01  -0.10     0.03   0.04   0.27     0.06  -0.01   0.16
    32   1     0.24   0.45   0.38     0.10   0.22   0.25     0.20   0.14  -0.01
    33   1    -0.01  -0.03  -0.39     0.02   0.02  -0.03    -0.03  -0.17  -0.56
    34   1    -0.22  -0.39   0.45    -0.05  -0.14   0.29    -0.35  -0.29   0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --     96.9674               148.6003               195.9384
 Red. masses --      2.9928                 1.6114                 1.5228
 Frc consts  --      0.0166                 0.0210                 0.0344
 IR Inten    --      1.5086                 1.5029                 0.4664
 RamAct Fr= 1--      0.1866                 0.0529                 0.2687
  Dep-P Fr= 1--      0.6459                 0.5413                 0.7367
  Dep-U Fr= 1--      0.7849                 0.7024                 0.8484
 Alpha2 Fr= 1--      0.0003                 0.0002                 0.0001
 Beta2  Fr= 1--      0.0244                 0.0062                 0.0380
 AlphaG Fr= 1--      0.0002                -0.0002                -0.0009
 Gamma2 Fr= 1--     -0.0104                -0.0551                -0.0339
 Delta2 Fr= 1--      0.0327                 0.0477                -0.0253
 Raman1 Fr= 1--       0.747                  0.212                  1.075
 ROA1   Fr= 1--       0.049                 -3.763                 -4.067
 CID1   Fr= 1--       0.066                -17.783                 -3.784
 Raman2 Fr= 1--       0.293                  0.074                  0.456
 ROA2   Fr= 1--      -0.511                 -1.704                 -0.613
 CID2   Fr= 1--      -1.744                -22.924                 -1.344
 Raman3 Fr= 1--       0.586                  0.149                  0.912
 ROA3   Fr= 1--       0.049                 -3.763                 -4.067
 CID3   Fr= 1--       0.084                -25.316                 -4.461
 RC180  Fr= 1--       0.570                  0.405                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03  -0.01    -0.06   0.01  -0.01    -0.03  -0.00  -0.03
     2   6     0.06   0.04  -0.01     0.06   0.02  -0.04     0.02   0.01  -0.04
     3   6    -0.05   0.02   0.00    -0.01   0.00  -0.01    -0.01  -0.01  -0.01
     4   6    -0.07   0.10  -0.02     0.01  -0.03  -0.01     0.01  -0.03  -0.01
     5   6    -0.01   0.08  -0.05    -0.01   0.05   0.02    -0.01   0.02   0.02
     6   6     0.02   0.04  -0.01     0.00   0.02  -0.01    -0.00  -0.00  -0.01
     7   1     0.07  -0.02  -0.03    -0.10   0.03   0.09    -0.04  -0.00   0.00
     8   1     0.07   0.08  -0.00    -0.14  -0.02  -0.07    -0.06  -0.00  -0.05
     9   1     0.07   0.06  -0.01     0.10   0.11  -0.10     0.03   0.03  -0.06
    10   1     0.07   0.03  -0.01     0.15  -0.05  -0.02     0.04  -0.02  -0.03
    11   6    -0.03  -0.02   0.02    -0.01  -0.00  -0.00    -0.00   0.00  -0.01
    12   1    -0.09  -0.01   0.02    -0.00   0.03   0.00     0.00   0.01  -0.01
    13   1    -0.14   0.11   0.02     0.05  -0.04  -0.09     0.03  -0.04  -0.06
    14   1    -0.07   0.17  -0.06     0.00  -0.10   0.02     0.00  -0.08   0.02
    15   1     0.02   0.07  -0.04    -0.06   0.08  -0.00    -0.06   0.04   0.00
    16   8    -0.03   0.04  -0.07    -0.00   0.07   0.09    -0.00   0.04   0.09
    17   6     0.09   0.06  -0.01    -0.02  -0.04  -0.02     0.00  -0.06  -0.02
    18   6     0.01  -0.11   0.03     0.01  -0.04   0.03     0.02  -0.00   0.10
    19   6    -0.11  -0.04   0.04    -0.03   0.00  -0.03     0.00   0.03  -0.08
    20   1     0.13   0.11  -0.04    -0.02  -0.04  -0.02     0.13   0.14  -0.02
    21   1     0.13   0.00   0.02    -0.02  -0.06  -0.06     0.13  -0.28  -0.07
    22   1     0.05   0.06  -0.02    -0.04  -0.06   0.02    -0.24  -0.07   0.02
    23   1     0.05  -0.09  -0.06     0.13  -0.14   0.37    -0.09   0.09  -0.21
    24   1    -0.04  -0.10   0.11     0.04  -0.28  -0.23    -0.10   0.20   0.44
    25   1     0.05  -0.21   0.05    -0.11   0.28  -0.02     0.27  -0.31   0.19
    26   1    -0.12  -0.01   0.11    -0.14   0.11  -0.34     0.07  -0.04   0.07
    27   1    -0.17  -0.07   0.03     0.28   0.02   0.04    -0.22   0.11  -0.14
    28   1    -0.10  -0.05   0.01    -0.26  -0.12   0.18     0.15   0.06  -0.28
    29   6     0.02  -0.04  -0.01     0.02   0.01   0.02     0.00   0.02   0.03
    30   6    -0.06  -0.13   0.19    -0.04  -0.06  -0.04    -0.03  -0.02  -0.02
    31   8     0.11  -0.06  -0.09     0.08   0.01   0.00     0.03   0.01  -0.00
    32   1    -0.35  -0.25   0.10    -0.01  -0.05  -0.03    -0.01  -0.03  -0.02
    33   1    -0.00  -0.19   0.50    -0.00  -0.13  -0.12    -0.01  -0.06  -0.07
    34   1     0.11  -0.01   0.07    -0.15  -0.07  -0.03    -0.10  -0.02  -0.02
                      7                      8                      9
                      A                      A                      A
 Frequencies --    219.6226               223.4060               235.2566
 Red. masses --      1.2783                 1.2787                 2.3707
 Frc consts  --      0.0363                 0.0376                 0.0773
 IR Inten    --      0.1986                 1.7709                 0.5074
 RamAct Fr= 1--      0.4932                 0.3480                 0.3037
  Dep-P Fr= 1--      0.2561                 0.1427                 0.5677
  Dep-U Fr= 1--      0.4078                 0.2497                 0.7243
 Alpha2 Fr= 1--      0.0057                 0.0055                 0.0010
 Beta2  Fr= 1--      0.0335                 0.0145                 0.0367
 AlphaG Fr= 1--     -0.0013                -0.0072                 0.0028
 Gamma2 Fr= 1--     -0.0560                -0.0387                 0.2051
 Delta2 Fr= 1--      0.1438                 0.0387                -0.0696
 Raman1 Fr= 1--       1.973                  1.392                  1.215
 ROA1   Fr= 1--      -0.771                 -2.473                 17.459
 CID1   Fr= 1--      -0.391                 -1.777                 14.372
 Raman2 Fr= 1--       0.402                  0.174                  0.440
 ROA2   Fr= 1--      -2.494                 -1.238                  5.479
 CID2   Fr= 1--      -6.202                 -7.123                 12.453
 Raman3 Fr= 1--       0.804                  0.348                  0.880
 ROA3   Fr= 1--      -0.771                 -2.473                 17.459
 CID3   Fr= 1--      -0.958                 -7.116                 19.843
 RC180  Fr= 1--      -0.184                 -0.501                  0.449
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.02  -0.01    -0.04  -0.01   0.01    -0.04   0.01   0.00
     2   6    -0.01  -0.01   0.01    -0.02  -0.00   0.00    -0.01   0.01  -0.00
     3   6     0.01  -0.01  -0.03    -0.02  -0.01  -0.00     0.01   0.01   0.00
     4   6     0.01  -0.01  -0.03    -0.01  -0.03  -0.02     0.03  -0.03  -0.02
     5   6    -0.02   0.01  -0.01     0.00   0.01  -0.00    -0.02   0.01  -0.00
     6   6    -0.00   0.01  -0.01    -0.00   0.00  -0.00     0.01   0.00  -0.00
     7   1     0.08  -0.04  -0.07    -0.05  -0.01   0.02    -0.06   0.03   0.03
     8   1     0.11   0.00   0.03    -0.06  -0.03  -0.00    -0.07  -0.02  -0.01
     9   1    -0.03  -0.04   0.06    -0.02   0.00  -0.01    -0.01   0.00  -0.03
    10   1    -0.06   0.04   0.01    -0.01   0.00   0.02    -0.00   0.01   0.01
    11   6     0.00  -0.00  -0.02    -0.01  -0.00  -0.00     0.00   0.00   0.01
    12   1     0.02  -0.03  -0.04    -0.01  -0.00  -0.00     0.01   0.03   0.02
    13   1     0.03  -0.01  -0.05     0.00  -0.03  -0.05     0.07  -0.04  -0.06
    14   1     0.02  -0.04  -0.01    -0.02  -0.06  -0.01     0.02  -0.09  -0.00
    15   1    -0.05   0.03  -0.02    -0.03   0.03  -0.02    -0.05   0.03  -0.02
    16   8    -0.03   0.01   0.04     0.03   0.05   0.03    -0.04   0.01   0.11
    17   6     0.04   0.03  -0.01    -0.03  -0.02  -0.01     0.26  -0.01  -0.01
    18   6     0.00   0.01  -0.02    -0.01  -0.01  -0.01    -0.03   0.02  -0.12
    19   6     0.04  -0.02   0.05    -0.03  -0.01   0.02    -0.03  -0.00   0.02
    20   1     0.04  -0.00  -0.05    -0.31  -0.47  -0.06     0.32  -0.03  -0.21
    21   1     0.04   0.07   0.05    -0.30   0.43   0.04     0.32   0.01   0.18
    22   1     0.12   0.04  -0.02     0.48  -0.04   0.00     0.41  -0.01  -0.01
    23   1    -0.09   0.09  -0.31    -0.05   0.03  -0.16     0.01  -0.01  -0.03
    24   1    -0.04   0.21   0.23    -0.03   0.09   0.10     0.06  -0.03  -0.28
    25   1     0.14  -0.28   0.04     0.04  -0.15   0.01    -0.18   0.11  -0.16
    26   1    -0.07   0.08  -0.30     0.01  -0.04   0.13     0.04  -0.06   0.26
    27   1     0.47  -0.09   0.15    -0.14  -0.03  -0.01    -0.29  -0.02  -0.05
    28   1    -0.23  -0.09   0.39     0.05   0.03  -0.06     0.14   0.07  -0.17
    29   6    -0.03   0.01   0.02     0.04   0.03   0.01    -0.05   0.00   0.04
    30   6    -0.05  -0.02  -0.01     0.01  -0.01  -0.01    -0.06  -0.02  -0.02
    31   8    -0.03   0.00   0.00     0.08   0.02  -0.01    -0.06  -0.00   0.00
    32   1    -0.05  -0.02  -0.01     0.01  -0.01  -0.01    -0.03  -0.03  -0.03
    33   1    -0.04  -0.04  -0.03     0.03  -0.04  -0.02    -0.05  -0.04  -0.07
    34   1    -0.09  -0.01  -0.01    -0.02  -0.00  -0.01    -0.13  -0.00  -0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    238.8776               243.1688               269.2593
 Red. masses --      2.2718                 2.9298                 2.3808
 Frc consts  --      0.0764                 0.1021                 0.1017
 IR Inten    --      1.8389                 1.3385                 0.3496
 RamAct Fr= 1--      0.9843                 0.4768                 2.0700
  Dep-P Fr= 1--      0.2713                 0.7466                 0.1974
  Dep-U Fr= 1--      0.4268                 0.8549                 0.3298
 Alpha2 Fr= 1--      0.0110                 0.0000                 0.0283
 Beta2  Fr= 1--      0.0700                 0.0679                 0.1138
 AlphaG Fr= 1--     -0.0144                -0.0001                 0.0176
 Gamma2 Fr= 1--     -0.2787                -0.0166                 0.1175
 Delta2 Fr= 1--     -0.1534                 0.0503                -0.0199
 Raman1 Fr= 1--       3.937                  1.907                  8.280
 ROA1   Fr= 1--     -31.660                  0.013                 10.644
 CID1   Fr= 1--      -8.041                  0.007                  1.285
 Raman2 Fr= 1--       0.840                  0.815                  1.365
 ROA2   Fr= 1--      -5.461                 -0.802                  2.980
 CID2   Fr= 1--      -6.499                 -0.983                  2.183
 Raman3 Fr= 1--       1.681                  1.630                  2.730
 ROA3   Fr= 1--     -31.660                  0.013                 10.644
 CID3   Fr= 1--     -18.839                  0.008                  3.898
 RC180  Fr= 1--      -0.146                  0.710                 -0.340
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.03   0.03    -0.11   0.08  -0.04    -0.00  -0.01  -0.03
     2   6    -0.04  -0.02   0.02    -0.05   0.04  -0.05     0.12  -0.00  -0.06
     3   6    -0.03  -0.02   0.00     0.01   0.08  -0.01     0.00  -0.01  -0.03
     4   6    -0.01  -0.06  -0.04     0.07  -0.05  -0.01     0.01  -0.02  -0.05
     5   6     0.00  -0.00  -0.02     0.04  -0.04  -0.01    -0.01   0.01  -0.02
     6   6    -0.02  -0.02  -0.00     0.00   0.03  -0.02     0.02  -0.00  -0.04
     7   1    -0.11  -0.00   0.07    -0.16   0.15   0.02    -0.03  -0.01   0.07
     8   1    -0.13  -0.07   0.00    -0.18   0.03  -0.08    -0.08  -0.01  -0.09
     9   1    -0.05  -0.04  -0.01    -0.05   0.05  -0.12     0.18   0.12  -0.13
    10   1    -0.04  -0.01   0.05    -0.02   0.02  -0.04     0.23  -0.11  -0.05
    11   6    -0.02  -0.01   0.00    -0.01   0.02  -0.01     0.04  -0.02  -0.01
    12   1    -0.03  -0.01   0.00     0.05   0.15   0.01    -0.01  -0.01  -0.01
    13   1     0.02  -0.07  -0.09     0.18  -0.05  -0.03     0.02  -0.02  -0.07
    14   1    -0.03  -0.12  -0.02     0.02  -0.13  -0.02     0.01  -0.05  -0.03
    15   1    -0.04   0.03  -0.05     0.05  -0.03  -0.03    -0.01   0.03  -0.04
    16   8     0.05   0.06   0.01     0.04  -0.09   0.07    -0.04   0.01   0.03
    17   6    -0.04   0.04   0.01     0.00   0.17  -0.00    -0.09   0.13  -0.02
    18   6    -0.07   0.04  -0.13     0.06  -0.14   0.02     0.06  -0.03   0.04
    19   6     0.01  -0.06   0.14    -0.15  -0.01   0.03     0.14  -0.06   0.12
    20   1     0.15   0.38   0.11     0.01   0.23   0.08    -0.16   0.09   0.13
    21   1     0.14  -0.27  -0.04     0.01   0.20   0.07    -0.16   0.24  -0.03
    22   1    -0.44   0.07  -0.03    -0.02   0.25  -0.13    -0.06   0.19  -0.13
    23   1    -0.12   0.07  -0.24     0.12  -0.10  -0.09     0.10  -0.06   0.15
    24   1     0.02   0.15  -0.15    -0.05  -0.14   0.16     0.04  -0.11  -0.01
    25   1    -0.15  -0.05  -0.15     0.16  -0.29   0.06     0.06   0.06   0.03
    26   1     0.04  -0.08   0.24    -0.21   0.08  -0.01     0.25  -0.18   0.39
    27   1    -0.01  -0.19   0.14    -0.11  -0.05   0.04    -0.08  -0.16   0.06
    28   1     0.05   0.03   0.20    -0.23  -0.09   0.07     0.33   0.13   0.02
    29   6     0.07   0.04  -0.00     0.02  -0.07   0.03    -0.06   0.01   0.02
    30   6     0.04  -0.00  -0.01     0.12   0.04  -0.02    -0.10  -0.03  -0.00
    31   8     0.13   0.03  -0.01    -0.05  -0.06   0.01    -0.08   0.01   0.01
    32   1     0.03  -0.00  -0.01     0.25   0.03  -0.03    -0.12  -0.03  -0.00
    33   1     0.06  -0.03  -0.02     0.05   0.16  -0.07    -0.07  -0.09  -0.01
    34   1     0.01   0.00  -0.01     0.17   0.04  -0.03    -0.16  -0.02  -0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    332.2799               349.7798               364.8409
 Red. masses --      2.1932                 2.8499                 2.3566
 Frc consts  --      0.1427                 0.2054                 0.1848
 IR Inten    --      1.6606                 0.9421                 0.6162
 RamAct Fr= 1--      0.2651                 2.0602                 0.2178
  Dep-P Fr= 1--      0.2513                 0.2433                 0.6867
  Dep-U Fr= 1--      0.4017                 0.3914                 0.8142
 Alpha2 Fr= 1--      0.0031                 0.0249                 0.0002
 Beta2  Fr= 1--      0.0177                 0.1344                 0.0296
 AlphaG Fr= 1--      0.0134                -0.0075                 0.0006
 Gamma2 Fr= 1--     -0.2284                 0.4622                -0.1683
 Delta2 Fr= 1--     -0.0465                 0.2104                -0.1695
 Raman1 Fr= 1--       1.060                  8.241                  0.871
 ROA1   Fr= 1--     -23.410                 51.100                -21.579
 CID1   Fr= 1--     -22.075                  6.201                -24.772
 Raman2 Fr= 1--       0.213                  1.613                  0.355
 ROA2   Fr= 1--      -5.109                  9.409                 -2.683
 CID2   Fr= 1--     -23.988                  5.834                 -7.564
 Raman3 Fr= 1--       0.426                  3.226                  0.709
 ROA3   Fr= 1--     -23.410                 51.100                -21.579
 CID3   Fr= 1--     -54.956                 15.842                -30.423
 RC180  Fr= 1--      -0.197                 -0.217                  0.628
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.01   0.09     0.05  -0.03  -0.03    -0.09   0.04  -0.02
     2   6     0.17   0.07   0.03     0.16   0.00  -0.06     0.03  -0.06  -0.08
     3   6     0.00   0.00   0.03    -0.08  -0.04  -0.01     0.00   0.01   0.06
     4   6     0.02  -0.04  -0.02    -0.11   0.05   0.01    -0.01   0.03   0.13
     5   6     0.03   0.04   0.00    -0.03   0.02  -0.00    -0.01  -0.05   0.08
     6   6     0.03   0.07   0.04    -0.02  -0.00  -0.02     0.00  -0.10   0.03
     7   1    -0.14   0.01   0.30     0.08  -0.13   0.02    -0.16   0.12   0.07
     8   1    -0.24  -0.09  -0.03     0.03   0.06  -0.08    -0.21   0.01  -0.12
     9   1     0.26   0.27  -0.08     0.25   0.18  -0.10     0.08   0.03  -0.21
    10   1     0.36  -0.09   0.10     0.29  -0.14  -0.08     0.13  -0.18  -0.11
    11   6     0.02   0.04   0.02    -0.07  -0.03  -0.01     0.00  -0.06   0.03
    12   1     0.00  -0.01   0.02    -0.10  -0.08  -0.02     0.01   0.09   0.11
    13   1     0.05  -0.05  -0.10    -0.21   0.06   0.08    -0.04   0.03   0.18
    14   1     0.00  -0.12   0.01    -0.09   0.17  -0.05     0.01   0.10   0.11
    15   1     0.11   0.05  -0.04    -0.02   0.02  -0.00    -0.02  -0.11   0.16
    16   8    -0.02  -0.04  -0.08    -0.01  -0.03   0.09     0.02   0.01  -0.05
    17   6    -0.03  -0.08   0.02     0.03   0.05  -0.02     0.03   0.09   0.08
    18   6     0.02   0.01  -0.11    -0.15   0.12   0.03    -0.03  -0.02  -0.07
    19   6    -0.04   0.05   0.00     0.01  -0.02  -0.01     0.07  -0.02  -0.12
    20   1    -0.05  -0.14  -0.01     0.02   0.03  -0.04     0.03   0.13   0.16
    21   1    -0.05  -0.13  -0.11     0.02   0.10   0.06     0.03   0.20   0.23
    22   1    -0.06  -0.16   0.16     0.11   0.08  -0.08     0.09   0.21  -0.12
    23   1     0.01   0.08  -0.36    -0.29   0.12   0.02    -0.08   0.03  -0.21
    24   1     0.03   0.16   0.01    -0.09   0.23   0.05     0.02   0.11  -0.02
    25   1     0.00  -0.25  -0.10    -0.12   0.16   0.04    -0.07  -0.15  -0.07
    26   1    -0.07   0.09  -0.05     0.01  -0.05  -0.04     0.06  -0.05  -0.32
    27   1     0.01   0.05   0.02     0.06  -0.02   0.01     0.19   0.17  -0.10
    28   1    -0.09  -0.00   0.03    -0.01   0.01   0.04     0.03  -0.09  -0.13
    29   6    -0.03  -0.03  -0.03     0.02  -0.08   0.05     0.01   0.04  -0.03
    30   6    -0.01   0.00   0.01     0.14   0.04  -0.02    -0.05  -0.02   0.01
    31   8    -0.07  -0.03   0.02     0.02  -0.09   0.00     0.02   0.04  -0.00
    32   1    -0.02   0.02   0.02     0.33   0.01  -0.03    -0.14  -0.00   0.02
    33   1    -0.02   0.03   0.04     0.03   0.23  -0.08     0.00  -0.10   0.05
    34   1     0.05  -0.01   0.02     0.23   0.06  -0.04    -0.07  -0.03   0.02
                     16                     17                     18
                      A                      A                      A
 Frequencies --    404.1479               432.5107               475.9392
 Red. masses --      2.5491                 2.0021                 2.6144
 Frc consts  --      0.2453                 0.2207                 0.3489
 IR Inten    --      0.3012                 0.1368                 1.1013
 RamAct Fr= 1--      0.6494                 0.2041                 1.1555
  Dep-P Fr= 1--      0.4423                 0.4126                 0.7341
  Dep-U Fr= 1--      0.6133                 0.5841                 0.8467
 Alpha2 Fr= 1--      0.0041                 0.0014                 0.0003
 Beta2  Fr= 1--      0.0664                 0.0199                 0.1631
 AlphaG Fr= 1--     -0.0034                 0.0011                -0.0036
 Gamma2 Fr= 1--      0.1313                -0.1003                -0.1162
 Delta2 Fr= 1--      0.2932                -0.1273                -0.4925
 Raman1 Fr= 1--       2.598                  0.817                  4.622
 ROA1   Fr= 1--      21.991                -13.702                -26.913
 CID1   Fr= 1--       8.465                -16.780                 -5.823
 Raman2 Fr= 1--       0.797                  0.238                  1.957
 ROA2   Fr= 1--       0.806                 -1.389                  1.152
 CID2   Fr= 1--       1.012                 -5.823                  0.589
 Raman3 Fr= 1--       1.593                  0.477                  3.913
 ROA3   Fr= 1--      21.991                -13.702                -26.913
 CID3   Fr= 1--      13.803                -28.727                 -6.877
 RC180  Fr= 1--       0.227                  0.168                  0.693
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.01   0.03    -0.11  -0.09   0.05     0.00   0.01  -0.01
     2   6    -0.07   0.04   0.04    -0.03  -0.04   0.03    -0.00   0.07   0.02
     3   6    -0.08   0.01   0.01     0.08  -0.05  -0.07     0.08   0.01  -0.07
     4   6    -0.10   0.08  -0.02     0.01   0.14   0.06     0.11  -0.05   0.08
     5   6    -0.03   0.05  -0.01     0.02   0.03   0.03    -0.05   0.06   0.09
     6   6    -0.01   0.05   0.01     0.01   0.01  -0.05    -0.11   0.06   0.02
     7   1    -0.03  -0.02  -0.01    -0.25   0.09   0.24    -0.06   0.08   0.07
     8   1    -0.02   0.02   0.06    -0.28  -0.32  -0.03    -0.06  -0.12  -0.02
     9   1    -0.09  -0.01   0.05    -0.04  -0.04  -0.01     0.03   0.14   0.05
    10   1    -0.09   0.09   0.08    -0.01  -0.00   0.14     0.04   0.01   0.00
    11   6    -0.01   0.01   0.01     0.04   0.00  -0.09    -0.10  -0.01  -0.09
    12   1    -0.13  -0.01   0.05     0.12  -0.08  -0.13     0.21   0.03  -0.16
    13   1    -0.18   0.08   0.03    -0.27   0.17   0.26     0.24  -0.07  -0.12
    14   1    -0.10   0.16  -0.06     0.16   0.46   0.01     0.17  -0.26   0.25
    15   1    -0.01   0.06  -0.03     0.00  -0.02   0.10     0.01   0.01   0.13
    16   8    -0.04   0.01   0.06    -0.00   0.00   0.02    -0.07   0.02  -0.09
    17   6    -0.01  -0.02  -0.00     0.01  -0.00  -0.07     0.03  -0.00   0.01
    18   6     0.07  -0.16  -0.09     0.05   0.04   0.01    -0.10  -0.07   0.05
    19   6     0.19   0.03  -0.05    -0.02  -0.04   0.01     0.06  -0.06   0.00
    20   1    -0.00  -0.04  -0.05     0.02  -0.00  -0.10     0.09  -0.01  -0.19
    21   1    -0.00  -0.06  -0.04     0.02  -0.02  -0.07     0.10  -0.04   0.13
    22   1    -0.01  -0.07   0.07     0.01  -0.02  -0.04     0.13  -0.04   0.07
    23   1     0.28  -0.15  -0.16    -0.02   0.03   0.06    -0.08  -0.10   0.15
    24   1     0.02  -0.27  -0.13     0.01   0.05   0.08    -0.22  -0.15   0.12
    25   1    -0.04  -0.30  -0.11     0.17   0.08   0.04     0.05  -0.00   0.09
    26   1     0.28  -0.14  -0.13    -0.07   0.05   0.08     0.17  -0.22   0.05
    27   1     0.26   0.14  -0.03    -0.02  -0.18   0.01     0.10  -0.13   0.01
    28   1     0.27   0.15  -0.04    -0.07  -0.04   0.08     0.16   0.16   0.08
    29   6    -0.01  -0.05   0.04    -0.00  -0.01   0.01    -0.04  -0.03  -0.07
    30   6     0.07   0.03  -0.01     0.00  -0.00  -0.00     0.01   0.05   0.00
    31   8     0.03  -0.05  -0.00    -0.01  -0.01  -0.00     0.07  -0.03   0.02
    32   1     0.20   0.01  -0.02     0.02  -0.01  -0.00     0.02   0.10   0.03
    33   1    -0.01   0.16  -0.05    -0.00   0.01  -0.01    -0.06   0.18   0.06
    34   1     0.12   0.05  -0.03    -0.00   0.01  -0.01     0.19  -0.00   0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --    515.3474               527.4292               583.7146
 Red. masses --      3.1022                 3.0514                 4.0219
 Frc consts  --      0.4854                 0.5001                 0.8074
 IR Inten    --      2.7768                 2.1562                 1.2722
 RamAct Fr= 1--      1.4283                 2.6705                 1.7470
  Dep-P Fr= 1--      0.5389                 0.1431                 0.4793
  Dep-U Fr= 1--      0.7003                 0.2504                 0.6480
 Alpha2 Fr= 1--      0.0058                 0.0420                 0.0095
 Beta2  Fr= 1--      0.1667                 0.1114                 0.1887
 AlphaG Fr= 1--     -0.0014                 0.0232                 0.0101
 Gamma2 Fr= 1--     -0.0423                -0.0791                 0.2497
 Delta2 Fr= 1--      0.1463                -0.0951                 0.0304
 Raman1 Fr= 1--       5.713                 10.682                  6.988
 ROA1   Fr= 1--       0.621                -10.634                 24.946
 CID1   Fr= 1--       0.109                 -0.995                  3.570
 Raman2 Fr= 1--       2.001                  1.337                  2.264
 ROA2   Fr= 1--      -2.186                 -1.136                  5.750
 CID2   Fr= 1--      -1.093                 -0.850                  2.540
 Raman3 Fr= 1--       4.001                  2.674                  4.528
 ROA3   Fr= 1--       0.621                -10.634                 24.946
 CID3   Fr= 1--       0.155                 -3.976                  5.509
 RC180  Fr= 1--       0.401                 -0.499                  0.296
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.08  -0.04     0.02  -0.02   0.03     0.06   0.08   0.21
     2   6     0.02  -0.09  -0.05     0.03   0.04   0.03     0.05  -0.15   0.10
     3   6    -0.01  -0.05  -0.03    -0.04  -0.00  -0.03     0.08   0.14   0.08
     4   6    -0.05  -0.06   0.05    -0.02  -0.01   0.05     0.11   0.10  -0.10
     5   6    -0.11  -0.08   0.04     0.06  -0.12  -0.01    -0.05  -0.10  -0.13
     6   6    -0.10  -0.07   0.00    -0.07   0.04  -0.04    -0.05  -0.12  -0.07
     7   1     0.06  -0.13  -0.11     0.04  -0.08   0.03    -0.04   0.25   0.28
     8   1     0.07  -0.00  -0.02     0.04  -0.01   0.05    -0.08  -0.02   0.12
     9   1     0.13   0.12  -0.07     0.11   0.19   0.05     0.12  -0.01   0.07
    10   1     0.17  -0.28  -0.11     0.14  -0.07   0.03     0.12  -0.27   0.03
    11   6     0.02   0.14  -0.02    -0.13   0.09  -0.05    -0.03   0.00   0.04
    12   1     0.03  -0.08  -0.09     0.06  -0.05  -0.14     0.02  -0.01   0.03
    13   1    -0.10  -0.05   0.11    -0.07   0.01   0.22     0.30   0.10  -0.02
    14   1     0.03   0.01   0.08    -0.03   0.16  -0.06    -0.03   0.01  -0.16
    15   1    -0.17  -0.10   0.08     0.09  -0.13  -0.00    -0.19  -0.13  -0.05
    16   8    -0.06   0.01  -0.02     0.15  -0.08   0.02    -0.06  -0.01  -0.01
    17   6     0.01   0.01   0.02     0.01   0.01  -0.08    -0.02  -0.00  -0.13
    18   6     0.15   0.02  -0.03    -0.11  -0.08   0.01    -0.08  -0.04   0.02
    19   6    -0.04   0.21   0.09     0.02   0.11   0.03    -0.00   0.03  -0.00
    20   1     0.08   0.06  -0.05     0.06   0.02  -0.20    -0.02   0.01  -0.08
    21   1     0.07   0.02   0.21     0.06  -0.04  -0.01    -0.02   0.02  -0.09
    22   1     0.08   0.06  -0.07     0.05  -0.02  -0.03    -0.02   0.04  -0.20
    23   1     0.39   0.02  -0.05     0.07  -0.09   0.02    -0.05  -0.04   0.01
    24   1     0.03  -0.14  -0.02    -0.24  -0.23   0.04    -0.11  -0.05   0.06
    25   1     0.15  -0.08  -0.03    -0.06  -0.14   0.03    -0.04  -0.07   0.03
    26   1    -0.08   0.30   0.17     0.12  -0.05   0.02     0.01  -0.01  -0.10
    27   1    -0.08   0.08   0.08     0.12   0.07   0.05    -0.00   0.20  -0.01
    28   1    -0.08   0.18   0.12     0.08   0.30   0.13     0.02  -0.02  -0.09
    29   6    -0.04  -0.01  -0.03     0.10   0.08   0.02    -0.05   0.01   0.09
    30   6    -0.01   0.05  -0.00     0.01  -0.08   0.01    -0.06   0.07  -0.00
    31   8     0.10  -0.01   0.00    -0.08   0.09  -0.02     0.10  -0.02  -0.04
    32   1     0.03   0.07   0.01    -0.16  -0.10  -0.01     0.13  -0.02  -0.06
    33   1    -0.07   0.16   0.01     0.17  -0.36  -0.00    -0.13   0.17  -0.11
    34   1     0.09   0.03   0.01    -0.23  -0.05   0.00    -0.13   0.16  -0.07
                     22                     23                     24
                      A                      A                      A
 Frequencies --    594.1335               620.7999               643.4786
 Red. masses --      3.2791                 2.8896                 4.2901
 Frc consts  --      0.6820                 0.6561                 1.0466
 IR Inten    --      1.0149                 3.8869                 3.4528
 RamAct Fr= 1--      3.8291                 0.9519                18.2881
  Dep-P Fr= 1--      0.2786                 0.0753                 0.0251
  Dep-U Fr= 1--      0.4358                 0.1401                 0.0490
 Alpha2 Fr= 1--      0.0418                 0.0177                 0.3832
 Beta2  Fr= 1--      0.2781                 0.0222                 0.1494
 AlphaG Fr= 1--      0.0174                -0.0323                -0.1195
 Gamma2 Fr= 1--      0.5003                -0.1757                -0.9383
 Delta2 Fr= 1--      0.5556                -0.0811                -0.2345
 Raman1 Fr= 1--      15.316                  3.808                 73.152
 ROA1   Fr= 1--      65.806                -19.460                -97.584
 CID1   Fr= 1--       4.296                 -5.111                 -1.334
 Raman2 Fr= 1--       3.337                  0.267                  1.793
 ROA2   Fr= 1--       7.562                 -3.568                -20.643
 CID2   Fr= 1--       2.266                -13.376                -11.513
 Raman3 Fr= 1--       6.675                  0.534                  3.586
 ROA3   Fr= 1--      65.806                -19.460                -97.584
 CID3   Fr= 1--       9.859                -36.475                -27.213
 RC180  Fr= 1--      -0.128                 -0.720                 -0.902
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.07  -0.03    -0.01  -0.04  -0.04    -0.00   0.06   0.03
     2   6    -0.00   0.05   0.01    -0.01   0.03  -0.03     0.02   0.17   0.06
     3   6     0.02   0.04  -0.13    -0.01  -0.05   0.03    -0.10   0.01   0.02
     4   6    -0.02   0.04  -0.12    -0.00  -0.05   0.10    -0.08  -0.09   0.09
     5   6    -0.03  -0.09  -0.08     0.02   0.04   0.06     0.03  -0.16   0.02
     6   6    -0.07  -0.01   0.12     0.03   0.04  -0.02    -0.00   0.08  -0.02
     7   1    -0.04   0.11   0.04     0.01  -0.09  -0.07     0.08  -0.10   0.01
     8   1    -0.05  -0.05  -0.04     0.02   0.00  -0.02     0.07   0.14   0.08
     9   1     0.07   0.18  -0.04    -0.05  -0.05  -0.00     0.03   0.18   0.08
    10   1     0.09  -0.12  -0.11    -0.05   0.11   0.03     0.04   0.18   0.09
    11   6     0.00   0.00  -0.10     0.00  -0.00   0.03     0.04  -0.02  -0.05
    12   1    -0.01   0.01  -0.12     0.05   0.01   0.03    -0.09   0.08   0.06
    13   1    -0.07   0.06   0.09    -0.00  -0.06  -0.02    -0.08  -0.08   0.28
    14   1     0.00   0.21  -0.20     0.05  -0.12   0.18    -0.13   0.06  -0.04
    15   1     0.00  -0.03  -0.17     0.11   0.00   0.08     0.13  -0.15  -0.03
    16   8     0.02  -0.04  -0.02    -0.02  -0.01  -0.14     0.01  -0.16   0.05
    17   6    -0.00  -0.05   0.29     0.00   0.02  -0.07     0.00   0.03  -0.11
    18   6     0.03   0.02  -0.00     0.00  -0.00   0.00     0.10   0.05  -0.02
    19   6     0.00  -0.07  -0.03    -0.00   0.01   0.01     0.00  -0.15  -0.06
    20   1     0.03  -0.05   0.18    -0.01   0.01  -0.04     0.03   0.00  -0.22
    21   1     0.04  -0.09   0.35    -0.01   0.02  -0.10     0.03  -0.03  -0.13
    22   1     0.04  -0.09   0.34    -0.01   0.02  -0.06     0.03  -0.03  -0.01
    23   1     0.00  -0.00   0.09     0.00   0.01  -0.03    -0.00   0.05   0.00
    24   1    -0.06  -0.02   0.08     0.04   0.02  -0.04     0.14   0.11  -0.02
    25   1     0.19   0.08   0.04    -0.06  -0.01  -0.02     0.12   0.12  -0.02
    26   1     0.01  -0.06   0.04    -0.00   0.02   0.00    -0.02  -0.10  -0.02
    27   1     0.02  -0.20  -0.02    -0.00   0.02   0.01     0.01  -0.23  -0.06
    28   1    -0.01  -0.00   0.05    -0.01   0.00   0.01    -0.03  -0.16  -0.02
    29   6     0.01   0.03   0.13    -0.01   0.02   0.29    -0.06   0.03  -0.04
    30   6    -0.01   0.01   0.01    -0.02   0.03   0.03    -0.17   0.15  -0.01
    31   8     0.02   0.01  -0.05     0.01  -0.02  -0.11     0.17   0.01   0.01
    32   1     0.14  -0.13  -0.08     0.40  -0.30  -0.16    -0.23   0.19   0.01
    33   1     0.01  -0.04  -0.13    -0.04   0.02  -0.30    -0.19   0.18   0.03
    34   1    -0.23   0.14  -0.08    -0.44   0.32  -0.19    -0.12   0.10   0.02
                     25                     26                     27
                      A                      A                      A
 Frequencies --    663.2653               750.7562               800.3926
 Red. masses --      3.1828                 2.5498                 2.2414
 Frc consts  --      0.8250                 0.8468                 0.8460
 IR Inten    --      2.6282                 2.4463                 2.0604
 RamAct Fr= 1--      5.0375                 4.4709                 3.7534
  Dep-P Fr= 1--      0.1904                 0.5092                 0.2085
  Dep-U Fr= 1--      0.3199                 0.6748                 0.3451
 Alpha2 Fr= 1--      0.0702                 0.0211                 0.0498
 Beta2  Fr= 1--      0.2686                 0.5028                 0.2159
 AlphaG Fr= 1--      0.0433                -0.0052                -0.0293
 Gamma2 Fr= 1--      0.7392                 0.2380                 0.4480
 Delta2 Fr= 1--      0.2460                 0.4254                -0.2885
 Raman1 Fr= 1--      20.150                 17.884                 15.014
 ROA1   Fr= 1--      78.832                 36.459                 33.776
 CID1   Fr= 1--       3.912                  2.039                  2.250
 Raman2 Fr= 1--       3.223                  6.034                  2.591
 ROA2   Fr= 1--      15.772                  2.308                 13.060
 CID2   Fr= 1--       4.893                  0.382                  5.041
 Raman3 Fr= 1--       6.447                 12.068                  5.181
 ROA3   Fr= 1--      78.832                 36.459                 33.776
 CID3   Fr= 1--      12.228                  3.021                  6.519
 RC180  Fr= 1--      -0.360                  0.350                 -0.310
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.07   0.10     0.01   0.06   0.06     0.07   0.09   0.00
     2   6    -0.00  -0.01   0.07     0.08  -0.08   0.01     0.05   0.14   0.01
     3   6    -0.08   0.08   0.03    -0.09   0.06  -0.04     0.07  -0.03  -0.06
     4   6    -0.07  -0.02   0.05    -0.08  -0.02   0.05    -0.06  -0.12   0.03
     5   6    -0.11  -0.00   0.05     0.03   0.02   0.05    -0.10  -0.11  -0.03
     6   6    -0.11  -0.04  -0.03     0.19  -0.08  -0.01     0.04  -0.04   0.00
     7   1     0.07   0.01   0.03     0.01  -0.00   0.15    -0.08   0.18   0.38
     8   1     0.08   0.14   0.14    -0.08   0.12  -0.03    -0.22  -0.11  -0.19
     9   1     0.08   0.15   0.07    -0.12  -0.47  -0.01    -0.08  -0.13   0.22
    10   1     0.10  -0.14   0.02    -0.20   0.21   0.04    -0.22   0.34  -0.11
    11   6     0.03  -0.00  -0.09    -0.06   0.06  -0.18     0.03  -0.02   0.04
    12   1    -0.12   0.04   0.03    -0.01  -0.01  -0.16     0.14  -0.02  -0.10
    13   1     0.17  -0.04  -0.13     0.08  -0.04  -0.08    -0.21  -0.09   0.28
    14   1    -0.12  -0.29   0.15    -0.13  -0.19   0.09     0.04   0.15  -0.04
    15   1    -0.20  -0.04   0.13     0.02   0.00   0.07    -0.21  -0.04  -0.09
    16   8     0.01   0.08  -0.04     0.01   0.00   0.00    -0.05   0.07  -0.01
    17   6    -0.01   0.01  -0.08     0.04  -0.02   0.05     0.01  -0.01  -0.03
    18   6     0.15   0.07  -0.03    -0.02   0.00  -0.04    -0.02  -0.03   0.01
    19   6     0.01  -0.13  -0.05    -0.01   0.04  -0.02     0.01   0.03   0.02
    20   1     0.07   0.04  -0.26    -0.05  -0.04   0.32    -0.02   0.01   0.09
    21   1     0.07  -0.02   0.10    -0.06   0.05  -0.10    -0.03   0.04  -0.06
    22   1     0.09   0.01  -0.10    -0.07   0.03  -0.03    -0.03   0.05  -0.12
    23   1     0.12   0.06   0.04     0.01  -0.03   0.09    -0.08  -0.02  -0.02
    24   1     0.09   0.05   0.03    -0.22  -0.13   0.09     0.06   0.03  -0.03
    25   1     0.28   0.13  -0.00     0.20   0.05   0.02    -0.10  -0.03  -0.01
    26   1    -0.03  -0.06   0.02     0.03   0.01   0.10    -0.02   0.07  -0.01
    27   1    -0.04  -0.23  -0.06     0.03  -0.20  -0.01    -0.02   0.12   0.02
    28   1    -0.02  -0.14  -0.03    -0.00   0.24   0.15    -0.00  -0.04  -0.04
    29   6     0.06   0.01   0.02    -0.02  -0.02   0.00    -0.01   0.01  -0.00
    30   6     0.14  -0.12   0.01    -0.03   0.02   0.00     0.06  -0.06   0.00
    31   8    -0.09   0.02  -0.01     0.00  -0.02   0.00    -0.01   0.02  -0.00
    32   1     0.15  -0.15  -0.01    -0.01   0.02  -0.00     0.11  -0.05   0.01
    33   1     0.19  -0.19  -0.02    -0.06   0.06  -0.01     0.04  -0.01  -0.00
    34   1     0.07  -0.08  -0.01    -0.02   0.03  -0.00     0.11  -0.05  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --    835.4460               849.7820               897.2153
 Red. masses --      1.7711                 2.1290                 2.2565
 Frc consts  --      0.7283                 0.9058                 1.0702
 IR Inten    --      3.9228                 0.5607                 1.3251
 RamAct Fr= 1--      4.6440                 3.2283                 3.1925
  Dep-P Fr= 1--      0.0155                 0.0206                 0.2927
  Dep-U Fr= 1--      0.0305                 0.0403                 0.4528
 Alpha2 Fr= 1--      0.0995                 0.0684                 0.0335
 Beta2  Fr= 1--      0.0236                 0.0217                 0.2409
 AlphaG Fr= 1--     -0.1184                -0.0258                 0.0408
 Gamma2 Fr= 1--      0.2684                -0.1941                 0.9945
 Delta2 Fr= 1--      0.2509                -0.0134                 0.3686
 Raman1 Fr= 1--      18.576                 12.913                 12.770
 ROA1   Fr= 1--      33.795                -19.057                107.269
 CID1   Fr= 1--       1.819                 -1.476                  8.400
 Raman2 Fr= 1--       0.283                  0.261                  2.891
 ROA2   Fr= 1--       4.435                 -4.551                 20.920
 CID2   Fr= 1--      15.671                -17.468                  7.235
 Raman3 Fr= 1--       0.566                  0.521                  5.783
 ROA3   Fr= 1--      33.795                -19.057                107.269
 CID3   Fr= 1--      59.711                -36.577                 18.550
 RC180  Fr= 1--      -0.939                 -0.919                 -0.094
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.06   0.05     0.07   0.07   0.02     0.02   0.09   0.15
     2   6    -0.05  -0.01  -0.00     0.01  -0.09  -0.08    -0.09   0.10  -0.08
     3   6     0.06  -0.03   0.07     0.09  -0.09   0.16     0.06  -0.10  -0.06
     4   6     0.02  -0.11   0.04    -0.07  -0.05  -0.01    -0.07   0.02  -0.07
     5   6     0.05  -0.02  -0.07     0.05   0.07  -0.02    -0.01   0.06   0.09
     6   6     0.05   0.00   0.01    -0.09   0.06   0.02     0.01  -0.08  -0.00
     7   1     0.08   0.03  -0.34    -0.10   0.31   0.24     0.04   0.18  -0.03
     8   1     0.24   0.22   0.26    -0.23   0.08  -0.26     0.14  -0.01   0.29
     9   1     0.05   0.20  -0.29    -0.05  -0.21   0.11    -0.04   0.21  -0.33
    10   1     0.20  -0.21   0.09    -0.20  -0.01  -0.28     0.08  -0.07  -0.08
    11   6    -0.01   0.03  -0.04    -0.03   0.01  -0.03     0.02  -0.01   0.02
    12   1     0.21   0.04  -0.01     0.11  -0.16   0.09     0.05  -0.35  -0.22
    13   1    -0.25  -0.08   0.29    -0.25  -0.05  -0.10    -0.20   0.00  -0.34
    14   1     0.03   0.23  -0.14    -0.16  -0.01  -0.10     0.03  -0.11   0.09
    15   1    -0.02   0.08  -0.17     0.17   0.12  -0.13     0.03  -0.01   0.17
    16   8    -0.02   0.11  -0.01     0.01  -0.03   0.01     0.04  -0.06  -0.00
    17   6     0.02   0.00  -0.01    -0.04   0.03  -0.01     0.01  -0.05  -0.02
    18   6    -0.03   0.00  -0.01     0.03   0.02  -0.02    -0.01  -0.01   0.01
    19   6     0.00  -0.02  -0.03    -0.01  -0.01  -0.02     0.01   0.01   0.02
    20   1    -0.04  -0.03   0.09     0.04   0.01  -0.28     0.02   0.07   0.17
    21   1    -0.03   0.01  -0.14     0.07  -0.07   0.12    -0.02   0.08   0.12
    22   1    -0.05  -0.02   0.04     0.09  -0.05   0.12    -0.01   0.12  -0.30
    23   1     0.00  -0.02   0.04     0.07   0.00   0.04    -0.03  -0.01  -0.01
    24   1    -0.11  -0.05   0.05    -0.07  -0.04   0.05     0.03   0.01  -0.01
    25   1     0.07   0.02   0.02     0.15   0.02   0.01    -0.05  -0.02  -0.00
    26   1     0.01  -0.03   0.03     0.02  -0.05   0.03    -0.02   0.06   0.01
    27   1     0.03  -0.13  -0.02     0.04  -0.13  -0.01    -0.03   0.04   0.01
    28   1    -0.00   0.06   0.06    -0.00   0.09   0.07    -0.01  -0.05  -0.02
    29   6    -0.02  -0.02   0.00     0.01  -0.00  -0.00     0.02  -0.01   0.00
    30   6    -0.00  -0.02   0.00    -0.01   0.02  -0.00    -0.02   0.04  -0.00
    31   8    -0.02  -0.03   0.01     0.00  -0.00   0.00     0.01  -0.01  -0.00
    32   1     0.09  -0.01   0.01    -0.05   0.02  -0.00    -0.10   0.03  -0.01
    33   1    -0.07   0.10  -0.01     0.01  -0.02   0.00     0.03  -0.05   0.00
    34   1     0.08  -0.01  -0.01    -0.05   0.02   0.00    -0.11   0.04   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --    922.8173               931.8169               952.4276
 Red. masses --      2.9725                 2.8888                 1.9633
 Frc consts  --      1.4914                 1.4778                 1.0493
 IR Inten    --      5.2079                 0.4467                 2.5927
 RamAct Fr= 1--      6.7397                 3.2861                 4.1424
  Dep-P Fr= 1--      0.1080                 0.6725                 0.4278
  Dep-U Fr= 1--      0.1949                 0.8042                 0.5992
 Alpha2 Fr= 1--      0.1157                 0.0045                 0.0277
 Beta2  Fr= 1--      0.2189                 0.4404                 0.4137
 AlphaG Fr= 1--      0.0401                 0.0013                -0.0077
 Gamma2 Fr= 1--     -0.7430                -2.9338                -1.3321
 Delta2 Fr= 1--     -0.9560                -0.5159                -1.2992
 Raman1 Fr= 1--      26.959                 13.144                 16.570
 ROA1   Fr= 1--    -101.919               -298.157               -169.457
 CID1   Fr= 1--      -3.781                -22.683                -10.227
 Raman2 Fr= 1--       2.627                  5.285                  4.964
 ROA2   Fr= 1--     -10.184                -66.284                -21.577
 CID2   Fr= 1--      -3.877                -12.541                 -4.347
 Raman3 Fr= 1--       5.254                 10.571                  9.928
 ROA3   Fr= 1--    -101.919               -298.157               -169.457
 CID3   Fr= 1--     -19.400                -28.206                -17.068
 RC180  Fr= 1--      -0.610                  0.608                  0.198
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.05  -0.01     0.01  -0.11   0.05     0.04  -0.02   0.05
     2   6    -0.00   0.12   0.01    -0.02   0.15  -0.12    -0.02  -0.03  -0.06
     3   6    -0.06   0.01   0.03    -0.01  -0.07   0.19    -0.02   0.02  -0.08
     4   6     0.04   0.00  -0.02     0.12   0.08  -0.02    -0.00  -0.00   0.05
     5   6     0.13  -0.01   0.00    -0.04  -0.04  -0.05     0.01  -0.00  -0.04
     6   6    -0.07  -0.10  -0.02     0.02  -0.03  -0.02     0.01   0.03  -0.01
     7   1     0.02  -0.18   0.20     0.03  -0.20   0.11     0.01  -0.00   0.11
     8   1    -0.08  -0.07  -0.09    -0.01  -0.02   0.00    -0.04  -0.10   0.00
     9   1    -0.00   0.09   0.25    -0.08   0.04  -0.05    -0.03  -0.06  -0.05
    10   1    -0.08   0.14  -0.08    -0.07   0.23  -0.09    -0.04  -0.04  -0.12
    11   6    -0.00   0.01  -0.01    -0.06   0.05  -0.02    -0.12   0.08   0.09
    12   1    -0.12   0.06   0.12    -0.16  -0.14   0.27     0.17  -0.12  -0.33
    13   1     0.04   0.01   0.07     0.17   0.08   0.01     0.11  -0.01   0.08
    14   1    -0.04   0.08  -0.14     0.04   0.03  -0.06    -0.00  -0.01   0.05
    15   1     0.01   0.01   0.02    -0.08  -0.09   0.03     0.02   0.01  -0.07
    16   8     0.13   0.17  -0.02    -0.08  -0.04   0.01     0.03   0.03   0.00
    17   6    -0.06  -0.07  -0.00     0.04  -0.05   0.02     0.03   0.01   0.02
    18   6     0.00   0.01  -0.02     0.02   0.05  -0.03     0.06   0.10   0.05
    19   6     0.00   0.00  -0.00    -0.03  -0.03  -0.05    -0.05  -0.12  -0.00
    20   1     0.09   0.15  -0.01    -0.03   0.02   0.37    -0.04  -0.04   0.10
    21   1     0.05   0.04   0.48    -0.07   0.11   0.00    -0.03   0.01  -0.13
    22   1     0.10   0.15  -0.38    -0.08   0.10  -0.22    -0.05  -0.02   0.08
    23   1     0.06  -0.00   0.02     0.21   0.03   0.04     0.47   0.15  -0.18
    24   1    -0.07  -0.06   0.02    -0.18  -0.13   0.06     0.08  -0.07  -0.13
    25   1     0.08  -0.01   0.01     0.18  -0.01   0.02    -0.24  -0.20  -0.02
    26   1    -0.01   0.03   0.01     0.06  -0.16   0.04     0.09  -0.39  -0.20
    27   1    -0.01  -0.01  -0.01     0.08  -0.23  -0.02     0.06   0.16   0.02
    28   1    -0.01  -0.02   0.00     0.00   0.19   0.13     0.08  -0.01  -0.08
    29   6     0.04  -0.09   0.01    -0.04   0.05  -0.00     0.01  -0.02   0.00
    30   6    -0.11   0.06  -0.00     0.06  -0.05   0.00    -0.02   0.01  -0.00
    31   8    -0.05  -0.13   0.02     0.02   0.07  -0.01    -0.01  -0.02   0.00
    32   1    -0.03   0.07   0.01     0.09  -0.05   0.00    -0.01   0.02   0.00
    33   1    -0.22   0.23  -0.01     0.07  -0.06   0.00    -0.04   0.04  -0.00
    34   1    -0.03   0.07  -0.02     0.09  -0.06   0.00    -0.01   0.01  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --    959.4235               963.7622               974.0698
 Red. masses --      1.6099                 1.6562                 1.7766
 Frc consts  --      0.8731                 0.9063                 0.9931
 IR Inten    --      0.2894                 0.6728                 5.8494
 RamAct Fr= 1--      5.0172                 1.5690                 4.9491
  Dep-P Fr= 1--      0.5644                 0.6918                 0.3004
  Dep-U Fr= 1--      0.7215                 0.8178                 0.4620
 Alpha2 Fr= 1--      0.0176                 0.0016                 0.0507
 Beta2  Fr= 1--      0.6033                 0.2139                 0.3811
 AlphaG Fr= 1--      0.0033                 0.0011                 0.0163
 Gamma2 Fr= 1--     -0.1727                 0.6157                 2.2700
 Delta2 Fr= 1--      0.0534                -0.1174                 2.5002
 Raman1 Fr= 1--      20.069                  6.276                 19.796
 ROA1   Fr= 1--     -14.876                 55.351                297.927
 CID1   Fr= 1--      -0.741                  8.819                 15.050
 Raman2 Fr= 1--       7.240                  2.566                  4.573
 ROA2   Fr= 1--      -4.573                 15.716                 34.478
 CID2   Fr= 1--      -0.632                  6.124                  7.540
 Raman3 Fr= 1--      14.480                  5.133                  9.146
 ROA3   Fr= 1--     -14.876                 55.351                297.927
 CID3   Fr= 1--      -1.027                 10.784                 32.575
 RC180  Fr= 1--       0.443                  0.636                 -0.076
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.03  -0.07    -0.02   0.02   0.10     0.07  -0.03   0.05
     2   6    -0.04   0.03   0.04     0.03  -0.02  -0.08    -0.07   0.02  -0.09
     3   6     0.07   0.01   0.03    -0.08  -0.01  -0.04    -0.03  -0.02   0.01
     4   6    -0.08   0.02   0.03     0.09  -0.02  -0.02    -0.02   0.06   0.05
     5   6    -0.02  -0.01  -0.04     0.03  -0.01   0.02    -0.00  -0.09  -0.02
     6   6     0.02  -0.01   0.00    -0.02   0.02  -0.01     0.02   0.06   0.00
     7   1    -0.07   0.16  -0.04     0.09  -0.19   0.05    -0.02   0.09   0.16
     8   1    -0.00  -0.21  -0.04     0.05   0.18   0.12    -0.03  -0.21   0.02
     9   1     0.05   0.21   0.03    -0.06  -0.19  -0.13    -0.02   0.12  -0.15
    10   1     0.11  -0.10   0.08    -0.10   0.10  -0.11     0.01  -0.12  -0.19
    11   6    -0.06  -0.06  -0.01    -0.02  -0.06  -0.01     0.06  -0.01  -0.02
    12   1     0.11   0.07   0.04    -0.12  -0.13  -0.09    -0.18  -0.19   0.02
    13   1     0.06   0.00  -0.12     0.01   0.00   0.17     0.31   0.03   0.01
    14   1    -0.20  -0.16   0.03     0.19   0.17  -0.03    -0.14  -0.18   0.07
    15   1    -0.03  -0.02  -0.02     0.06   0.02  -0.02    -0.11  -0.12   0.05
    16   8     0.03   0.01   0.01    -0.02   0.01  -0.01     0.04   0.07  -0.00
    17   6     0.04  -0.01  -0.01    -0.04   0.02   0.02     0.02   0.07   0.02
    18   6     0.08  -0.02  -0.04     0.07  -0.05  -0.02    -0.02  -0.05   0.03
    19   6    -0.08   0.04   0.03    -0.05   0.04   0.05     0.03   0.04  -0.04
    20   1    -0.04  -0.02   0.19     0.04   0.02  -0.20    -0.04  -0.09  -0.09
    21   1    -0.05   0.05  -0.14     0.06  -0.06   0.14     0.00  -0.06  -0.25
    22   1    -0.08   0.02  -0.06     0.08  -0.03   0.10    -0.03  -0.12   0.33
    23   1    -0.26  -0.04   0.09    -0.35  -0.05   0.06    -0.19  -0.02  -0.05
    24   1     0.15   0.18   0.06     0.24   0.22   0.01     0.15   0.10  -0.06
    25   1     0.24   0.23  -0.01     0.12   0.22  -0.02    -0.18  -0.02  -0.02
    26   1     0.14  -0.34  -0.12     0.09  -0.23  -0.13    -0.03   0.18   0.17
    27   1     0.14   0.21   0.08     0.08   0.29   0.07    -0.01  -0.28  -0.04
    28   1     0.10   0.35   0.07     0.09   0.19  -0.02    -0.06   0.06   0.11
    29   6     0.01  -0.01  -0.00    -0.01   0.01   0.00     0.00  -0.02   0.00
    30   6    -0.01   0.02  -0.00     0.00  -0.02   0.00    -0.03  -0.01   0.00
    31   8    -0.01  -0.02   0.00     0.00   0.01  -0.00    -0.02  -0.03   0.00
    32   1    -0.04   0.02  -0.00     0.06  -0.02   0.01     0.06   0.01   0.01
    33   1    -0.00   0.00   0.00    -0.03   0.04  -0.00    -0.11   0.12  -0.01
    34   1    -0.03   0.01   0.00     0.06  -0.02  -0.01     0.06  -0.00  -0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    998.5676              1008.0222              1023.8808
 Red. masses --      1.9984                 1.9673                 1.4903
 Frc consts  --      1.1740                 1.1778                 0.9205
 IR Inten    --      4.3657                 1.2269                17.0670
 RamAct Fr= 1--      3.1749                 6.2213                 1.4709
  Dep-P Fr= 1--      0.7074                 0.0317                 0.7496
  Dep-U Fr= 1--      0.8286                 0.0615                 0.8569
 Alpha2 Fr= 1--      0.0023                 0.1283                 0.0000
 Beta2  Fr= 1--      0.4385                 0.0638                 0.2101
 AlphaG Fr= 1--     -0.0046                -0.0767                 0.0010
 Gamma2 Fr= 1--     -1.0978                 0.0769                 0.4719
 Delta2 Fr= 1--     -1.1886                 0.3961                 0.5156
 Raman1 Fr= 1--      12.700                 24.885                  5.884
 ROA1   Fr= 1--    -143.422                 20.057                 61.798
 CID1   Fr= 1--     -11.293                  0.806                 10.504
 Raman2 Fr= 1--       5.262                  0.766                  2.521
 ROA2   Fr= 1--     -16.838                 -1.323                  7.200
 CID2   Fr= 1--      -3.200                 -1.728                  2.856
 Raman3 Fr= 1--      10.523                  1.531                  5.041
 ROA3   Fr= 1--    -143.422                 20.057                 61.798
 CID3   Fr= 1--     -13.629                 13.098                 12.258
 RC180  Fr= 1--       0.657                 -0.877                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.12   0.08     0.02   0.01  -0.03    -0.00   0.00  -0.02
     2   6    -0.02   0.03  -0.10    -0.01  -0.02   0.03    -0.00   0.01  -0.01
     3   6     0.04   0.13  -0.00     0.01   0.02  -0.03     0.01  -0.03   0.01
     4   6    -0.09  -0.02   0.08    -0.05   0.01  -0.05    -0.01   0.01  -0.06
     5   6     0.04   0.03  -0.06     0.14  -0.04   0.09    -0.02  -0.05   0.08
     6   6    -0.00   0.01  -0.03     0.01  -0.00   0.01     0.01   0.02   0.02
     7   1     0.05  -0.15   0.09    -0.04   0.11  -0.02    -0.01   0.01  -0.01
     8   1     0.10  -0.30   0.19    -0.01  -0.10  -0.02    -0.01   0.04  -0.04
     9   1    -0.06  -0.05  -0.18     0.02   0.05   0.01    -0.01   0.00  -0.01
    10   1    -0.01   0.07  -0.03     0.06  -0.08   0.05    -0.01  -0.00  -0.04
    11   6     0.03  -0.00  -0.01    -0.00   0.02   0.01    -0.00   0.01   0.01
    12   1     0.23   0.25  -0.07     0.03  -0.00  -0.06    -0.12  -0.11   0.06
    13   1     0.07  -0.03   0.05    -0.02   0.01  -0.12    -0.07   0.01  -0.09
    14   1    -0.27  -0.11  -0.03    -0.21  -0.06  -0.15     0.06   0.02  -0.01
    15   1     0.13   0.11  -0.20     0.23  -0.04   0.07    -0.08  -0.12   0.18
    16   8    -0.04  -0.02   0.02    -0.04  -0.00   0.01     0.06   0.02  -0.01
    17   6    -0.03  -0.02   0.03    -0.03  -0.03  -0.02     0.03   0.06  -0.01
    18   6    -0.03  -0.01  -0.04     0.00   0.00   0.03    -0.03   0.03  -0.08
    19   6     0.05  -0.01   0.06    -0.03  -0.00  -0.02     0.01  -0.03   0.07
    20   1     0.03   0.04  -0.05     0.05   0.07  -0.05    -0.06  -0.10  -0.04
    21   1     0.03  -0.02   0.20     0.03   0.01   0.17    -0.02  -0.03  -0.30
    22   1     0.05   0.02  -0.02     0.05   0.05  -0.15    -0.05  -0.08   0.23
    23   1    -0.07  -0.05   0.11     0.03   0.03  -0.07     0.09  -0.04   0.16
    24   1    -0.17  -0.06   0.09     0.10   0.03  -0.06    -0.35  -0.16   0.16
    25   1     0.20   0.07   0.02    -0.16  -0.05  -0.01     0.36   0.06   0.03
    26   1    -0.08   0.16  -0.09     0.04  -0.10   0.00    -0.03  -0.02  -0.17
    27   1    -0.11   0.25   0.01     0.04  -0.07  -0.00    -0.07   0.34   0.05
    28   1    -0.00  -0.32  -0.19     0.00   0.11   0.06     0.04  -0.25  -0.19
    29   6    -0.01   0.01  -0.00    -0.09   0.05  -0.00    -0.01  -0.00   0.00
    30   6     0.02  -0.01   0.00    -0.02  -0.14   0.02    -0.04  -0.04   0.00
    31   8     0.01   0.02  -0.00     0.02   0.09  -0.01    -0.01   0.00  -0.00
    32   1     0.02  -0.02  -0.00     0.44  -0.11   0.05     0.14  -0.01   0.02
    33   1     0.02  -0.02  -0.00    -0.29   0.34  -0.03    -0.16   0.18  -0.01
    34   1     0.02  -0.01   0.00     0.40  -0.08  -0.07     0.13  -0.01  -0.03
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1049.0645              1057.8776              1068.4219
 Red. masses --      2.4918                 2.0512                 1.8246
 Frc consts  --      1.6157                 1.3525                 1.2271
 IR Inten    --     28.4579                61.1047                 7.4996
 RamAct Fr= 1--      0.7979                 2.2926                 0.0935
  Dep-P Fr= 1--      0.6178                 0.4964                 0.6325
  Dep-U Fr= 1--      0.7638                 0.6635                 0.7749
 Alpha2 Fr= 1--      0.0019                 0.0115                 0.0002
 Beta2  Fr= 1--      0.1016                 0.2535                 0.0121
 AlphaG Fr= 1--     -0.0154                -0.0185                 0.0074
 Gamma2 Fr= 1--      0.8648                 0.9550                -0.1617
 Delta2 Fr= 1--      0.0262                 0.0468                -0.0306
 Raman1 Fr= 1--       3.192                  9.170                  0.374
 ROA1   Fr= 1--      83.857                 93.176                -16.505
 CID1   Fr= 1--      26.275                 10.161                -44.120
 Raman2 Fr= 1--       1.219                  3.042                  0.145
 ROA2   Fr= 1--      20.544                 22.545                 -3.637
 CID2   Fr= 1--      16.856                  7.411                -25.093
 Raman3 Fr= 1--       2.438                  6.084                  0.290
 ROA3   Fr= 1--      83.857                 93.176                -16.505
 CID3   Fr= 1--      34.402                 15.315                -56.935
 RC180  Fr= 1--       0.528                  0.327                  0.550
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.07   0.02     0.08   0.04  -0.02     0.01   0.00  -0.00
     2   6    -0.00  -0.01  -0.05    -0.09  -0.03   0.04    -0.01  -0.00   0.00
     3   6     0.06   0.11   0.01    -0.11  -0.02  -0.06    -0.01   0.00  -0.01
     4   6    -0.03  -0.05  -0.15     0.04  -0.03   0.03    -0.00  -0.01  -0.00
     5   6     0.03  -0.08   0.20     0.15   0.02   0.02     0.02  -0.00   0.01
     6   6     0.03   0.01   0.04    -0.01  -0.00   0.03     0.00   0.00   0.01
     7   1     0.03  -0.11   0.07    -0.03   0.12   0.22    -0.00   0.01   0.03
     8   1     0.05  -0.23   0.09    -0.13  -0.11  -0.16    -0.01  -0.03  -0.01
     9   1    -0.03  -0.06  -0.10     0.06   0.27   0.12     0.00   0.02   0.01
    10   1    -0.01   0.00  -0.05     0.05  -0.34  -0.22     0.01  -0.04  -0.02
    11   6     0.02   0.05   0.02     0.01  -0.02   0.00     0.00   0.00   0.00
    12   1    -0.03   0.29   0.20    -0.32  -0.17  -0.00    -0.03  -0.00   0.01
    13   1    -0.21  -0.02   0.01     0.12  -0.02   0.18    -0.00  -0.00   0.01
    14   1    -0.11   0.15  -0.33     0.05   0.05  -0.01     0.00   0.01  -0.00
    15   1    -0.07  -0.07   0.23     0.21   0.08  -0.08     0.04  -0.00   0.00
    16   8    -0.08   0.05  -0.02    -0.12   0.01   0.01    -0.02   0.00  -0.03
    17   6     0.00   0.04  -0.03     0.05  -0.02  -0.03     0.00  -0.00  -0.00
    18   6    -0.02  -0.01   0.02    -0.01   0.01  -0.04    -0.00   0.00  -0.00
    19   6    -0.05  -0.03  -0.04     0.01   0.00   0.03    -0.00  -0.00   0.00
    20   1     0.00  -0.01  -0.12    -0.04  -0.02   0.21    -0.00  -0.00   0.02
    21   1     0.02  -0.02  -0.10    -0.06   0.08  -0.15    -0.00   0.01  -0.01
    22   1     0.02  -0.03   0.07    -0.09   0.04  -0.11    -0.01   0.01  -0.02
    23   1    -0.00   0.01  -0.02     0.01  -0.02   0.08     0.00  -0.00   0.01
    24   1     0.01   0.00  -0.01    -0.14  -0.05   0.07    -0.01  -0.01   0.01
    25   1    -0.08  -0.03   0.00     0.17   0.03   0.01     0.01   0.00   0.00
    26   1     0.08  -0.22  -0.02    -0.03   0.06  -0.03     0.00  -0.01  -0.00
    27   1     0.10  -0.09  -0.00    -0.04   0.10   0.01     0.00   0.01   0.00
    28   1     0.03   0.20   0.08    -0.00  -0.10  -0.06     0.00   0.00  -0.00
    29   6     0.03  -0.01  -0.01    -0.00   0.01  -0.03     0.01   0.02   0.20
    30   6     0.05   0.07   0.00     0.06   0.03   0.02     0.00  -0.01  -0.17
    31   8    -0.01  -0.05   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.04
    32   1    -0.20  -0.00  -0.05    -0.06  -0.06  -0.04    -0.42   0.45   0.13
    33   1     0.24  -0.25  -0.01     0.17  -0.18  -0.03     0.03   0.01   0.36
    34   1    -0.25   0.07   0.03    -0.16   0.06   0.01     0.41  -0.43   0.18
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1071.2153              1107.5730              1138.9593
 Red. masses --      1.9177                 1.2571                 1.6063
 Frc consts  --      1.2965                 0.9086                 1.2277
 IR Inten    --     64.0902                 4.5976                19.2466
 RamAct Fr= 1--      5.4614                 5.8247                 2.9174
  Dep-P Fr= 1--      0.7001                 0.7497                 0.7156
  Dep-U Fr= 1--      0.8236                 0.8569                 0.8342
 Alpha2 Fr= 1--      0.0047                 0.0000                 0.0017
 Beta2  Fr= 1--      0.7497                 0.8319                 0.4056
 AlphaG Fr= 1--      0.0127                -0.0005                -0.0058
 Gamma2 Fr= 1--      0.9659                -1.5360                 0.1960
 Delta2 Fr= 1--     -0.1362                -0.6794                 0.6029
 Raman1 Fr= 1--      21.845                 23.299                 11.670
 ROA1   Fr= 1--      88.364               -169.194                 38.111
 CID1   Fr= 1--       4.045                 -7.262                  3.266
 Raman2 Fr= 1--       8.996                  9.983                  4.868
 ROA2   Fr= 1--      24.271                -31.428                 -0.119
 CID2   Fr= 1--       2.698                 -3.148                 -0.024
 Raman3 Fr= 1--      17.992                 19.966                  9.735
 ROA3   Fr= 1--      88.364               -169.194                 38.111
 CID3   Fr= 1--       4.911                 -8.474                  3.915
 RC180  Fr= 1--       0.647                  0.714                  0.668
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.02   0.04    -0.03  -0.01   0.02     0.01  -0.05  -0.01
     2   6    -0.04  -0.04  -0.03    -0.01   0.00  -0.00     0.01  -0.05  -0.03
     3   6    -0.02   0.08  -0.02     0.00   0.01   0.03     0.00   0.03   0.04
     4   6     0.02  -0.08  -0.02     0.01   0.01  -0.00     0.00  -0.02  -0.04
     5   6    -0.10   0.12   0.02     0.05  -0.01   0.00    -0.07  -0.00   0.08
     6   6    -0.04   0.00   0.05    -0.06  -0.00  -0.06    -0.02   0.11   0.00
     7   1     0.06  -0.16   0.23     0.08  -0.29   0.09    -0.08   0.26  -0.18
     8   1    -0.02  -0.15   0.02    -0.07   0.33  -0.12    -0.05   0.13  -0.12
     9   1     0.02   0.08   0.08     0.06   0.12   0.31     0.03  -0.01   0.08
    10   1    -0.04  -0.18  -0.25    -0.07  -0.07  -0.22     0.05   0.08   0.25
    11   6     0.01  -0.00   0.02    -0.00   0.04  -0.03    -0.01   0.08  -0.03
    12   1    -0.10   0.37   0.23     0.36   0.09  -0.21    -0.06  -0.37  -0.17
    13   1    -0.21  -0.05   0.13    -0.22   0.01  -0.24     0.25  -0.00   0.31
    14   1     0.26   0.19   0.04    -0.09  -0.02  -0.07    -0.16   0.07  -0.22
    15   1     0.06   0.17  -0.10    -0.07  -0.13   0.20     0.04   0.11  -0.11
    16   8     0.10  -0.06  -0.01    -0.02   0.00   0.00     0.03   0.01  -0.02
    17   6     0.06  -0.01  -0.03     0.06   0.00   0.03     0.03  -0.07  -0.01
    18   6     0.00  -0.02  -0.00     0.01  -0.05   0.02     0.01  -0.05   0.01
    19   6     0.00   0.00  -0.04     0.02  -0.01   0.01     0.03  -0.03   0.02
    20   1    -0.05  -0.03   0.23    -0.06  -0.07   0.22     0.02   0.06   0.26
    21   1    -0.08   0.09  -0.21    -0.05   0.05  -0.16    -0.07   0.13   0.05
    22   1    -0.11   0.04  -0.12    -0.11  -0.02   0.07    -0.06   0.08  -0.24
    23   1    -0.07  -0.02   0.01    -0.18  -0.02  -0.03    -0.20  -0.04  -0.00
    24   1     0.03   0.03   0.01     0.16   0.11  -0.03     0.13   0.12   0.00
    25   1     0.01   0.02  -0.00    -0.08   0.06  -0.01    -0.03   0.10  -0.01
    26   1     0.02   0.01   0.08    -0.03   0.07  -0.02    -0.04   0.06  -0.05
    27   1     0.04  -0.16  -0.03    -0.05   0.02  -0.01    -0.06   0.03  -0.01
    28   1    -0.02   0.10   0.09    -0.01  -0.13  -0.06     0.01  -0.18  -0.09
    29   6    -0.01  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.01   0.00
    30   6    -0.05  -0.04   0.01     0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   8     0.00   0.03  -0.00     0.00   0.00  -0.00    -0.00  -0.01  -0.00
    32   1     0.14  -0.01   0.03    -0.00   0.00  -0.00    -0.01   0.00  -0.00
    33   1    -0.18   0.18  -0.01     0.01  -0.01   0.00    -0.00   0.00   0.00
    34   1     0.13  -0.01  -0.03     0.00  -0.00   0.00    -0.01   0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1163.4795              1173.0882              1191.4361
 Red. masses --      2.2287                 2.1033                 1.8827
 Frc consts  --      1.7776                 1.7054                 1.5746
 IR Inten    --     10.3483                 2.2773                11.9063
 RamAct Fr= 1--      2.2031                 2.4718                 3.0819
  Dep-P Fr= 1--      0.5988                 0.7498                 0.4528
  Dep-U Fr= 1--      0.7491                 0.8570                 0.6233
 Alpha2 Fr= 1--      0.0062                 0.0000                 0.0187
 Beta2  Fr= 1--      0.2751                 0.3531                 0.3202
 AlphaG Fr= 1--     -0.0159                -0.0002                -0.0282
 Gamma2 Fr= 1--      1.5966                 0.4748                -1.2917
 Delta2 Fr= 1--      0.8067                 0.1786                -0.1649
 Raman1 Fr= 1--       8.813                  9.887                 12.328
 ROA1   Fr= 1--     179.090                 51.299               -129.275
 CID1   Fr= 1--      20.322                  5.188                -10.486
 Raman2 Fr= 1--       3.301                  4.237                  3.842
 ROA2   Fr= 1--      31.866                  9.967                -29.681
 CID2   Fr= 1--       9.654                  2.352                 -7.725
 Raman3 Fr= 1--       6.601                  8.474                  7.684
 ROA3   Fr= 1--     179.090                 51.299               -129.275
 CID3   Fr= 1--      27.129                  6.054                -16.823
 RC180  Fr= 1--       0.498                  0.714                  0.247
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.01   0.02     0.09  -0.01  -0.01     0.01  -0.03  -0.04
     2   6     0.04  -0.04  -0.02    -0.08  -0.02   0.00    -0.07   0.04   0.04
     3   6     0.07  -0.01  -0.07    -0.04   0.02   0.04    -0.03   0.01   0.04
     4   6    -0.08   0.07   0.02    -0.01  -0.05   0.01     0.02   0.02  -0.02
     5   6     0.01  -0.10  -0.05    -0.02   0.02  -0.04    -0.07   0.05   0.01
     6   6    -0.01   0.08   0.12     0.11   0.02  -0.14     0.13  -0.09   0.14
     7   1     0.05  -0.20  -0.08    -0.02   0.12   0.15     0.05  -0.26   0.16
     8   1     0.01   0.29  -0.00    -0.11   0.03  -0.20    -0.12   0.21  -0.24
     9   1     0.03  -0.07   0.17     0.05   0.22   0.03    -0.02   0.14  -0.07
    10   1    -0.09  -0.03  -0.23     0.13  -0.09   0.23     0.03  -0.20  -0.20
    11   6     0.12   0.10   0.09     0.09   0.14  -0.02     0.02   0.04   0.01
    12   1    -0.08  -0.03   0.03    -0.15  -0.01   0.11     0.35  -0.16  -0.38
    13   1     0.06   0.04  -0.18    -0.26  -0.05  -0.08     0.18   0.03   0.13
    14   1     0.24  -0.15   0.42     0.36   0.05   0.29    -0.15   0.03  -0.18
    15   1     0.18  -0.01  -0.22    -0.20  -0.12   0.19    -0.05   0.13  -0.11
    16   8    -0.01   0.04   0.01    -0.00  -0.02   0.01     0.02  -0.03  -0.01
    17   6    -0.00  -0.04  -0.06    -0.06  -0.02   0.06    -0.06   0.04  -0.05
    18   6    -0.05  -0.03  -0.04    -0.04  -0.04   0.01    -0.01  -0.02  -0.02
    19   6    -0.04  -0.04  -0.04    -0.04  -0.06   0.02    -0.00  -0.02  -0.01
    20   1     0.04   0.08   0.04     0.05   0.07  -0.08     0.05   0.04  -0.34
    21   1    -0.04   0.08   0.04     0.07  -0.07   0.31     0.07  -0.11   0.02
    22   1    -0.00   0.09  -0.27     0.12  -0.03   0.08     0.14   0.00  -0.01
    23   1    -0.14  -0.07   0.13    -0.13  -0.03   0.00    -0.08  -0.03   0.04
    24   1    -0.16  -0.02   0.12    -0.01   0.02   0.01    -0.03   0.01   0.03
    25   1     0.11   0.05   0.01    -0.08   0.01  -0.00     0.03   0.04  -0.00
    26   1     0.07  -0.20   0.01     0.04  -0.22  -0.14     0.00  -0.02  -0.00
    27   1     0.11  -0.10  -0.00     0.06   0.11   0.03     0.01  -0.02  -0.01
    28   1     0.01   0.12   0.05     0.08   0.02  -0.09     0.02   0.02  -0.00
    29   6     0.01  -0.00  -0.00    -0.00   0.00  -0.00    -0.04  -0.00   0.00
    30   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
    31   8    -0.01  -0.01   0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
    32   1    -0.01   0.00  -0.00     0.01  -0.00   0.00    -0.01  -0.01  -0.01
    33   1     0.00   0.00  -0.00    -0.01   0.01  -0.00     0.03  -0.04   0.01
    34   1    -0.01   0.01  -0.00     0.01  -0.00  -0.00    -0.00  -0.01   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1225.4023              1235.4490              1254.9673
 Red. masses --      1.9666                 1.6986                 1.8172
 Frc consts  --      1.7399                 1.5276                 1.6862
 IR Inten    --      2.6165                 0.6364                 5.7603
 RamAct Fr= 1--      7.4022                 2.1713                 7.0365
  Dep-P Fr= 1--      0.7500                 0.7346                 0.6347
  Dep-U Fr= 1--      0.8571                 0.8470                 0.7765
 Alpha2 Fr= 1--      0.0000                 0.0006                 0.0147
 Beta2  Fr= 1--      1.0575                 0.3065                 0.9106
 AlphaG Fr= 1--     -0.0000                 0.0001                 0.0214
 Gamma2 Fr= 1--      0.6873                -0.5041                 3.2034
 Delta2 Fr= 1--      0.2629                 0.1049                 1.1394
 Raman1 Fr= 1--      29.609                  8.685                 28.146
 ROA1   Fr= 1--      74.391                -45.033                343.982
 CID1   Fr= 1--       2.512                 -5.185                 12.221
 Raman2 Fr= 1--      12.689                  3.678                 10.928
 ROA2   Fr= 1--      14.391                -12.937                 67.765
 CID2   Fr= 1--       1.134                 -3.517                  6.201
 Raman3 Fr= 1--      25.379                  7.356                 21.856
 ROA3   Fr= 1--      74.391                -45.033                343.982
 CID3   Fr= 1--       2.931                 -6.122                 15.739
 RC180  Fr= 1--       0.714                  0.694                  0.553
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.01    -0.07  -0.01   0.03    -0.04   0.01  -0.04
     2   6     0.01  -0.02  -0.04     0.01   0.02  -0.02     0.08   0.04   0.03
     3   6    -0.04   0.05  -0.03     0.06   0.00  -0.03    -0.03  -0.01   0.03
     4   6    -0.00  -0.04  -0.01    -0.03  -0.02   0.03     0.02  -0.01   0.02
     5   6     0.02   0.04   0.00    -0.01   0.07   0.02     0.03   0.04  -0.03
     6   6    -0.01  -0.01  -0.09    -0.01  -0.06  -0.06    -0.02  -0.11   0.02
     7   1    -0.02   0.09  -0.08    -0.02   0.03  -0.17    -0.10   0.25  -0.23
     8   1     0.02  -0.04   0.04     0.05   0.14   0.09     0.19  -0.51   0.33
     9   1     0.07   0.08   0.27     0.10   0.16   0.47     0.01  -0.12   0.11
    10   1     0.04   0.12   0.23    -0.08   0.00  -0.22    -0.12  -0.01  -0.37
    11   6     0.01  -0.04   0.22     0.14  -0.03  -0.06    -0.03   0.18   0.02
    12   1     0.17  -0.20  -0.37    -0.21  -0.17   0.09    -0.12  -0.14   0.01
    13   1     0.05  -0.02   0.11     0.24  -0.02   0.25    -0.06  -0.01  -0.02
    14   1    -0.02   0.05  -0.08    -0.27  -0.01  -0.19     0.03   0.03   0.01
    15   1    -0.12  -0.09   0.22    -0.06   0.11  -0.02     0.02   0.00   0.03
    16   8    -0.01  -0.01  -0.00     0.01  -0.03  -0.00     0.00  -0.01   0.00
    17   6    -0.01   0.02   0.03     0.01   0.03   0.02     0.00   0.03  -0.01
    18   6    -0.00   0.00  -0.09    -0.05   0.03   0.03     0.02  -0.07  -0.01
    19   6     0.00   0.02  -0.09    -0.07  -0.00   0.02     0.02  -0.04  -0.01
    20   1    -0.02  -0.02   0.00    -0.03  -0.05  -0.00    -0.03  -0.05  -0.07
    21   1     0.02  -0.03   0.04     0.02  -0.04  -0.05     0.03  -0.06  -0.09
    22   1     0.00  -0.04   0.13    -0.01  -0.04   0.12     0.01  -0.03   0.09
    23   1    -0.01  -0.07   0.20     0.10   0.03  -0.03    -0.24  -0.05   0.01
    24   1    -0.17   0.01   0.15    -0.10  -0.13  -0.05     0.10   0.13   0.06
    25   1     0.31   0.08   0.00    -0.13  -0.16   0.02    -0.03   0.15  -0.03
    26   1     0.05   0.01   0.22     0.04  -0.19  -0.07    -0.01  -0.02  -0.06
    27   1     0.07  -0.32  -0.06     0.13   0.14   0.06    -0.05  -0.07  -0.02
    28   1    -0.10   0.12   0.18     0.10   0.21  -0.02    -0.01  -0.13  -0.06
    29   6     0.02   0.00   0.00    -0.01   0.00   0.00    -0.03   0.00   0.00
    30   6    -0.01  -0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00  -0.00
    31   8    -0.00   0.00  -0.00     0.00   0.01  -0.00     0.01   0.00  -0.00
    32   1     0.01   0.01   0.01     0.01   0.00   0.00     0.00  -0.01  -0.01
    33   1    -0.02   0.02  -0.00    -0.00   0.00   0.00     0.03  -0.03   0.00
    34   1     0.01   0.01  -0.01     0.01  -0.00  -0.00     0.00  -0.02   0.01
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1261.9467              1270.7586              1284.0382
 Red. masses --      1.6457                 3.7774                 1.6468
 Frc consts  --      1.5441                 3.5939                 1.5997
 IR Inten    --      2.8567               433.3801                 0.4647
 RamAct Fr= 1--      2.2341                 2.5261                 6.1268
  Dep-P Fr= 1--      0.6873                 0.4334                 0.7438
  Dep-U Fr= 1--      0.8147                 0.6047                 0.8531
 Alpha2 Fr= 1--      0.0025                 0.0165                 0.0006
 Beta2  Fr= 1--      0.3034                 0.2546                 0.8711
 AlphaG Fr= 1--      0.0051                -0.0287                -0.0015
 Gamma2 Fr= 1--     -1.1616                -0.5844                -2.9100
 Delta2 Fr= 1--     -0.8741                -0.3779                -0.9515
 Raman1 Fr= 1--       8.936                 10.104                 24.507
 ROA1   Fr= 1--    -139.482                -68.196               -309.811
 CID1   Fr= 1--     -15.609                 -6.749                -12.642
 Raman2 Fr= 1--       3.640                  3.055                 10.453
 ROA2   Fr= 1--     -20.885                -11.003                -62.229
 CID2   Fr= 1--      -5.737                 -3.602                 -5.953
 Raman3 Fr= 1--       7.280                  6.110                 20.906
 ROA3   Fr= 1--    -139.482                -68.196               -309.811
 CID3   Fr= 1--     -19.159                -11.162                -14.819
 RC180  Fr= 1--       0.629                  0.209                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.07  -0.01    -0.00  -0.03  -0.01    -0.03  -0.04   0.04
     2   6     0.02  -0.04   0.04     0.01   0.02   0.02     0.00  -0.01  -0.03
     3   6    -0.04  -0.11  -0.04     0.00   0.03   0.02    -0.02   0.03   0.03
     4   6     0.05   0.01   0.04     0.01  -0.01   0.00    -0.01  -0.00  -0.05
     5   6    -0.03   0.03  -0.03     0.01   0.01  -0.00    -0.01  -0.03  -0.01
     6   6     0.02   0.13  -0.01     0.02  -0.01   0.05     0.13   0.09   0.02
     7   1     0.04  -0.07   0.08    -0.03   0.05  -0.06    -0.10   0.29  -0.26
     8   1     0.05  -0.21   0.12    -0.00  -0.00  -0.02     0.06  -0.07   0.13
     9   1    -0.02  -0.09  -0.16    -0.03  -0.05  -0.10     0.11   0.16   0.48
    10   1    -0.07  -0.12  -0.23    -0.04  -0.03  -0.13    -0.10  -0.16  -0.45
    11   6     0.06   0.03   0.03    -0.01   0.01  -0.02    -0.08  -0.09  -0.03
    12   1     0.13   0.28   0.08    -0.05  -0.13  -0.06     0.11   0.08  -0.04
    13   1     0.08   0.01   0.04    -0.02  -0.00   0.05    -0.01   0.00   0.04
    14   1    -0.42  -0.03  -0.35     0.01   0.01  -0.01     0.23   0.02   0.15
    15   1    -0.34  -0.17   0.33    -0.35   0.12  -0.03    -0.10  -0.11   0.13
    16   8     0.01  -0.01  -0.01    -0.17  -0.07   0.00     0.00   0.00   0.00
    17   6    -0.01  -0.06  -0.00    -0.00  -0.00  -0.01    -0.04  -0.03  -0.01
    18   6    -0.02  -0.00  -0.02     0.01  -0.01   0.01     0.01   0.03   0.00
    19   6    -0.02  -0.01   0.01     0.01  -0.01   0.00     0.03   0.02   0.01
    20   1     0.06   0.10   0.08     0.01   0.01  -0.05     0.07   0.12  -0.04
    21   1    -0.04   0.08   0.15    -0.01   0.00  -0.03     0.02  -0.02   0.15
    22   1     0.02   0.04  -0.15     0.01   0.02  -0.04     0.12   0.02  -0.09
    23   1    -0.02  -0.02   0.06    -0.02   0.00  -0.02     0.11   0.03  -0.04
    24   1    -0.08  -0.02   0.04     0.03   0.02  -0.01     0.03  -0.01  -0.05
    25   1     0.05  -0.00  -0.00    -0.04   0.01  -0.00     0.03  -0.02   0.01
    26   1     0.02  -0.07  -0.03    -0.01   0.02  -0.02    -0.04   0.13   0.02
    27   1     0.04   0.02   0.02    -0.01   0.01  -0.00    -0.07   0.04  -0.01
    28   1     0.03   0.03  -0.02     0.02  -0.00  -0.01    -0.02  -0.04   0.02
    29   6     0.00   0.00   0.00     0.43   0.01  -0.02    -0.01   0.00  -0.00
    30   6    -0.00  -0.00   0.00    -0.10  -0.04   0.01     0.00   0.00  -0.00
    31   8    -0.00  -0.00  -0.00    -0.05   0.02  -0.00     0.00  -0.00   0.00
    32   1     0.00   0.00   0.00     0.02   0.22   0.16     0.00  -0.01  -0.01
    33   1    -0.01   0.01   0.00    -0.41   0.47  -0.04     0.01  -0.02   0.00
    34   1     0.00   0.00  -0.00     0.01   0.21  -0.20    -0.00  -0.01   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1308.0892              1313.3202              1336.6931
 Red. masses --      1.9067                 1.6191                 1.4825
 Frc consts  --      1.9223                 1.6454                 1.5606
 IR Inten    --      0.3603                 6.7086                 5.0582
 RamAct Fr= 1--      3.9537                 2.7491                 5.9047
  Dep-P Fr= 1--      0.6029                 0.5545                 0.7497
  Dep-U Fr= 1--      0.7522                 0.7134                 0.8570
 Alpha2 Fr= 1--      0.0108                 0.0102                 0.0000
 Beta2  Fr= 1--      0.4957                 0.3269                 0.8434
 AlphaG Fr= 1--     -0.0205                -0.0373                 0.0014
 Gamma2 Fr= 1--      0.6843                -1.0545                -0.7057
 Delta2 Fr= 1--      1.1199                -0.5875                -0.8923
 Raman1 Fr= 1--      15.815                 10.996                 23.619
 ROA1   Fr= 1--     101.530               -120.034                -96.305
 CID1   Fr= 1--       6.420                -10.916                 -4.077
 Raman2 Fr= 1--       5.948                  3.923                 10.120
 ROA2   Fr= 1--       7.464                -20.608                 -9.799
 CID2   Fr= 1--       1.255                 -5.254                 -0.968
 Raman3 Fr= 1--      11.896                  7.845                 20.241
 ROA3   Fr= 1--     101.530               -120.034                -96.305
 CID3   Fr= 1--       8.535                -15.300                 -4.758
 RC180  Fr= 1--       0.504                  0.427                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.00    -0.03   0.11  -0.03     0.03  -0.01   0.04
     2   6    -0.01   0.01   0.06    -0.03  -0.06  -0.07     0.00   0.01  -0.02
     3   6     0.14  -0.04  -0.04     0.02  -0.07   0.00    -0.09  -0.12   0.01
     4   6    -0.11  -0.02  -0.05     0.03   0.04   0.01    -0.04   0.03  -0.07
     5   6     0.04   0.04   0.01    -0.05  -0.05   0.07     0.00   0.00   0.03
     6   6     0.04  -0.00  -0.10     0.07  -0.00  -0.05    -0.03  -0.05  -0.01
     7   1     0.09  -0.30   0.12     0.11  -0.34   0.22    -0.08   0.32  -0.08
     8   1    -0.03   0.23  -0.08     0.09  -0.29   0.21    -0.00   0.06  -0.01
     9   1    -0.04  -0.02  -0.17     0.13   0.23   0.44     0.02   0.04   0.04
    10   1    -0.04  -0.14  -0.23     0.05   0.04   0.22    -0.00   0.09   0.10
    11   6    -0.13   0.04   0.05    -0.05   0.03   0.01     0.04   0.04  -0.01
    12   1    -0.20   0.05   0.30     0.01   0.06   0.10     0.45   0.56   0.03
    13   1     0.48  -0.01   0.40    -0.02   0.04  -0.08     0.38   0.04   0.22
    14   1     0.07   0.00   0.09    -0.11  -0.06  -0.05     0.17   0.03   0.11
    15   1    -0.05  -0.02   0.13     0.14   0.26  -0.40     0.19   0.04  -0.07
    16   8    -0.00  -0.01   0.00    -0.01   0.00  -0.00    -0.02   0.00   0.00
    17   6    -0.02   0.00   0.02    -0.02   0.01   0.01     0.01   0.02   0.00
    18   6     0.03  -0.02  -0.01     0.01  -0.01  -0.01    -0.00  -0.00  -0.00
    19   6     0.04  -0.01  -0.01     0.02  -0.01   0.01    -0.01   0.00   0.01
    20   1    -0.02   0.00   0.04     0.00   0.03  -0.00    -0.03  -0.05   0.00
    21   1     0.04  -0.04   0.11     0.04  -0.05   0.06     0.01  -0.02  -0.06
    22   1     0.04  -0.04   0.09     0.08  -0.03   0.06    -0.03  -0.01   0.05
    23   1    -0.05  -0.01   0.00    -0.04  -0.01   0.00    -0.05  -0.01   0.02
    24   1     0.07   0.09   0.04     0.02   0.03   0.02    -0.02  -0.02   0.01
    25   1     0.02   0.10  -0.02     0.01   0.04  -0.01    -0.02  -0.01  -0.01
    26   1    -0.03   0.11   0.03    -0.02   0.04  -0.02     0.02  -0.07  -0.04
    27   1    -0.09  -0.06  -0.04    -0.05   0.01  -0.01     0.02  -0.01   0.02
    28   1    -0.05  -0.09   0.04    -0.01  -0.05  -0.01     0.01  -0.01  -0.04
    29   6     0.00  -0.00   0.00     0.04  -0.00  -0.00     0.03  -0.00  -0.00
    30   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   8     0.00   0.01  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    32   1     0.00  -0.00  -0.00    -0.01   0.03   0.02    -0.01   0.03   0.02
    33   1    -0.00   0.00  -0.00    -0.03   0.04  -0.00    -0.03   0.03  -0.00
    34   1     0.00  -0.00   0.00    -0.01   0.03  -0.02    -0.01   0.02  -0.02
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1342.0915              1363.1775              1397.1383
 Red. masses --      1.6697                 1.8310                 1.2701
 Frc consts  --      1.7719                 2.0047                 1.4607
 IR Inten    --      2.9502                 0.4529                48.8070
 RamAct Fr= 1--      4.5454                 1.5738                 1.6749
  Dep-P Fr= 1--      0.4120                 0.7211                 0.5719
  Dep-U Fr= 1--      0.5836                 0.8380                 0.7277
 Alpha2 Fr= 1--      0.0322                 0.0008                 0.0056
 Beta2  Fr= 1--      0.4421                 0.2198                 0.2031
 AlphaG Fr= 1--     -0.0137                 0.0142                -0.0291
 Gamma2 Fr= 1--      1.0214                 0.4369                 0.1332
 Delta2 Fr= 1--      0.6476                 0.5709                -0.0389
 Raman1 Fr= 1--      18.182                  6.295                  6.700
 ROA1   Fr= 1--     118.773                 60.211                 11.539
 CID1   Fr= 1--       6.533                  9.565                  1.722
 Raman2 Fr= 1--       5.306                  2.638                  2.438
 ROA2   Fr= 1--      19.331                  5.918                  3.507
 CID2   Fr= 1--       3.644                  2.244                  1.439
 Raman3 Fr= 1--      10.611                  5.275                  4.875
 ROA3   Fr= 1--     118.773                 60.211                 11.539
 CID3   Fr= 1--      11.193                 11.414                  2.367
 RC180  Fr= 1--       0.167                  0.676                  0.455
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.07  -0.08    -0.01   0.05  -0.01     0.00   0.00  -0.00
     2   6     0.02  -0.01   0.04    -0.02  -0.04  -0.11     0.00  -0.00  -0.01
     3   6    -0.02   0.03   0.12     0.03  -0.01  -0.01    -0.01  -0.01   0.00
     4   6    -0.06  -0.01  -0.07    -0.04  -0.03  -0.02    -0.01   0.01  -0.01
     5   6     0.00   0.00   0.01     0.05   0.07  -0.10     0.04  -0.01   0.02
     6   6    -0.04   0.05  -0.04    -0.01  -0.03   0.17    -0.01   0.00   0.01
     7   1     0.07  -0.33   0.21     0.06  -0.16   0.10    -0.00   0.00   0.01
     8   1     0.12  -0.39   0.20     0.02  -0.08   0.05     0.00  -0.02   0.01
     9   1    -0.03  -0.08  -0.14     0.06   0.08   0.29    -0.00  -0.02   0.01
    10   1    -0.04  -0.05  -0.11     0.11   0.18   0.47     0.01   0.02   0.04
    11   6     0.08  -0.05  -0.04    -0.02   0.02  -0.05     0.00   0.00  -0.00
    12   1     0.24  -0.30  -0.30    -0.06  -0.00   0.07     0.04   0.02  -0.01
    13   1     0.17   0.01   0.23     0.18  -0.03   0.17     0.03   0.01   0.01
    14   1     0.29   0.01   0.23     0.05   0.03   0.02     0.05  -0.00   0.06
    15   1     0.11  -0.07   0.07    -0.09  -0.36   0.52    -0.35   0.18  -0.11
    16   8    -0.00   0.01   0.00    -0.01  -0.00   0.01    -0.01  -0.02  -0.01
    17   6     0.02  -0.02   0.01    -0.00   0.01  -0.04     0.01   0.00  -0.00
    18   6    -0.03   0.01   0.02     0.02  -0.01   0.02    -0.01  -0.01   0.00
    19   6    -0.03   0.02   0.01     0.01  -0.01   0.02     0.00  -0.02  -0.00
    20   1     0.00  -0.00   0.08     0.01   0.00  -0.09    -0.00  -0.01   0.00
    21   1    -0.03   0.07   0.01    -0.02   0.01  -0.07    -0.01   0.01  -0.00
    22   1    -0.06   0.00  -0.02    -0.02   0.02  -0.06    -0.02  -0.00   0.00
    23   1     0.07   0.02  -0.02    -0.04   0.02  -0.06     0.05  -0.00  -0.01
    24   1     0.01  -0.04  -0.07     0.02  -0.01  -0.00     0.04   0.04  -0.02
    25   1     0.02  -0.08   0.03    -0.08   0.03  -0.01     0.05   0.02   0.02
    26   1     0.03  -0.07  -0.02    -0.02   0.03  -0.05    -0.05   0.07   0.01
    27   1     0.08   0.00   0.03    -0.06   0.05  -0.00    -0.01   0.08  -0.01
    28   1     0.03   0.02  -0.06     0.01  -0.03  -0.01     0.04   0.09   0.04
    29   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.04   0.01  -0.00
    30   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.11   0.09  -0.00
    31   8    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.01   0.00
    32   1    -0.01   0.00   0.00     0.01  -0.01  -0.00     0.40  -0.28  -0.20
    33   1    -0.01   0.01  -0.00     0.00  -0.01   0.01     0.19  -0.40   0.02
    34   1    -0.00   0.00  -0.00     0.01  -0.01   0.01     0.42  -0.25   0.22
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1406.4222              1413.0039              1419.5499
 Red. masses --      1.2651                 1.2839                 1.2851
 Frc consts  --      1.4744                 1.5103                 1.5257
 IR Inten    --     10.2186                 6.0446                19.5896
 RamAct Fr= 1--      0.5232                 0.2759                 3.3610
  Dep-P Fr= 1--      0.5375                 0.3564                 0.7200
  Dep-U Fr= 1--      0.6992                 0.5255                 0.8372
 Alpha2 Fr= 1--      0.0021                 0.0024                 0.0017
 Beta2  Fr= 1--      0.0610                 0.0242                 0.4690
 AlphaG Fr= 1--      0.0056                 0.0018                 0.0218
 Gamma2 Fr= 1--     -0.2039                 0.0078                -1.5717
 Delta2 Fr= 1--     -0.1582                 0.0279                -0.9991
 Raman1 Fr= 1--       2.093                  1.104                 13.444
 ROA1   Fr= 1--     -24.639                  1.640               -182.859
 CID1   Fr= 1--     -11.772                  1.486                -13.601
 Raman2 Fr= 1--       0.732                  0.290                  5.628
 ROA2   Fr= 1--      -3.628                 -0.037                -29.729
 CID2   Fr= 1--      -4.958                 -0.126                 -5.282
 Raman3 Fr= 1--       1.463                  0.580                 11.256
 ROA3   Fr= 1--     -24.639                  1.640               -182.859
 CID3   Fr= 1--     -16.836                  2.828                -16.246
 RC180  Fr= 1--       0.398                  0.051                  0.674
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.01   0.00     0.00  -0.00   0.01
     2   6     0.00   0.00  -0.01     0.00   0.00  -0.00    -0.00   0.00   0.01
     3   6    -0.01  -0.01   0.00    -0.00   0.00  -0.00     0.01  -0.00  -0.01
     4   6    -0.01   0.01  -0.00     0.00   0.00   0.00     0.03  -0.01   0.01
     5   6     0.03  -0.00   0.01     0.01  -0.00  -0.00    -0.09   0.01  -0.03
     6   6    -0.02  -0.01   0.01    -0.00  -0.00   0.04     0.02  -0.01  -0.02
     7   1     0.01   0.00  -0.01    -0.01   0.01  -0.01     0.01  -0.00  -0.03
     8   1    -0.02  -0.03  -0.01    -0.00   0.01  -0.01    -0.03   0.02  -0.03
     9   1    -0.02  -0.05   0.02    -0.00  -0.00  -0.01     0.00   0.02  -0.01
    10   1     0.03   0.00   0.04    -0.00   0.02   0.01    -0.02  -0.02  -0.06
    11   6     0.02   0.02  -0.00     0.00  -0.01  -0.01     0.01   0.01   0.00
    12   1     0.03   0.03  -0.00     0.00  -0.00  -0.01    -0.04  -0.00   0.03
    13   1     0.02   0.01   0.01    -0.00   0.00  -0.03    -0.06  -0.01   0.04
    14   1     0.03  -0.02   0.04     0.01   0.02   0.00    -0.12  -0.04  -0.10
    15   1    -0.21   0.10  -0.05    -0.11   0.04  -0.02     0.68  -0.31   0.18
    16   8     0.01  -0.01  -0.00     0.00  -0.01  -0.00    -0.02   0.03   0.02
    17   6     0.01   0.01  -0.01    -0.00   0.02  -0.14    -0.01   0.01  -0.00
    18   6    -0.09  -0.04   0.01    -0.01  -0.00   0.00    -0.07  -0.03   0.01
    19   6     0.01  -0.08  -0.03    -0.01   0.03   0.02    -0.00   0.01  -0.00
    20   1    -0.04  -0.04   0.03    -0.20   0.03   0.52    -0.02  -0.01   0.03
    21   1     0.03  -0.00   0.03     0.22  -0.00   0.48     0.04  -0.05   0.03
    22   1    -0.03  -0.01   0.02     0.03  -0.30   0.43     0.04  -0.01   0.02
    23   1     0.34  -0.01  -0.09     0.04  -0.00  -0.01     0.25  -0.01  -0.08
    24   1     0.27   0.23  -0.17     0.05   0.02  -0.05     0.20   0.16  -0.15
    25   1     0.35   0.14   0.11     0.06  -0.01   0.02     0.27   0.10   0.09
    26   1    -0.17   0.26   0.13     0.06  -0.10  -0.06     0.04  -0.04   0.05
    27   1    -0.03   0.36  -0.03     0.05  -0.17   0.02     0.02   0.02   0.00
    28   1     0.07   0.29   0.22     0.01  -0.11  -0.14    -0.06  -0.06   0.01
    29   6    -0.03   0.00   0.00    -0.01   0.00   0.00     0.06  -0.01  -0.00
    30   6     0.04  -0.03   0.00     0.00  -0.00   0.00    -0.05   0.03  -0.00
    31   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01   0.00   0.00
    32   1    -0.14   0.09   0.06    -0.01   0.00   0.00     0.14  -0.07  -0.06
    33   1    -0.06   0.13  -0.01    -0.00   0.01  -0.00     0.05  -0.12   0.01
    34   1    -0.14   0.08  -0.07    -0.01   0.00  -0.00     0.14  -0.06   0.06
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1430.7571              1471.5742              1478.0995
 Red. masses --      1.2070                 1.0519                 1.0460
 Frc consts  --      1.4557                 1.3421                 1.3464
 IR Inten    --      6.2919                12.2609                 9.0625
 RamAct Fr= 1--      1.4080                 5.3245                 4.7397
  Dep-P Fr= 1--      0.2541                 0.6089                 0.7500
  Dep-U Fr= 1--      0.4053                 0.7569                 0.8571
 Alpha2 Fr= 1--      0.0165                 0.0138                 0.0000
 Beta2  Fr= 1--      0.0951                 0.6717                 0.6771
 AlphaG Fr= 1--      0.0288                 0.0021                -0.0001
 Gamma2 Fr= 1--      0.2073                 0.0141                -0.0095
 Delta2 Fr= 1--     -0.1700                -0.1089                 0.1249
 Raman1 Fr= 1--       5.632                 21.298                 18.959
 ROA1   Fr= 1--      14.459                 -2.132                  3.083
 CID1   Fr= 1--       2.567                 -0.100                  0.163
 Raman2 Fr= 1--       1.141                  8.060                  8.125
 ROA2   Fr= 1--       6.335                  1.210                 -1.227
 CID2   Fr= 1--       5.552                  0.150                 -0.151
 Raman3 Fr= 1--       2.282                 16.120                 16.250
 ROA3   Fr= 1--      14.459                 -2.132                  3.083
 CID3   Fr= 1--       6.335                 -0.132                  0.190
 RC180  Fr= 1--      -0.189                  0.514                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6    -0.01   0.01   0.01     0.00   0.00   0.00    -0.00  -0.00   0.00
     4   6     0.01   0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.03  -0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
     7   1    -0.01   0.01   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.02  -0.01   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
     9   1     0.02   0.03  -0.06     0.00   0.00  -0.00    -0.00  -0.01   0.00
    10   1    -0.05   0.02  -0.04    -0.00   0.00  -0.00     0.01  -0.01  -0.00
    11   6     0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    12   1     0.02  -0.02  -0.03    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.06   0.01   0.06     0.00  -0.00  -0.00     0.01  -0.00  -0.01
    14   1    -0.02  -0.07   0.00     0.00   0.00   0.00     0.00   0.01  -0.00
    15   1     0.26  -0.12   0.06    -0.01   0.00   0.00     0.00   0.00  -0.00
    16   8    -0.01   0.01   0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
    17   6     0.00   0.01  -0.04     0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   6     0.07   0.02  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   6     0.01  -0.09  -0.04     0.00   0.00   0.00     0.00  -0.00   0.00
    20   1    -0.06  -0.01   0.15    -0.00  -0.01  -0.00     0.01   0.01  -0.00
    21   1     0.06   0.02   0.18     0.00   0.00   0.01    -0.01   0.01   0.00
    22   1    -0.03  -0.10   0.14    -0.01   0.00  -0.00    -0.01  -0.01   0.01
    23   1    -0.27   0.01   0.07    -0.00  -0.00   0.00     0.00  -0.00   0.01
    24   1    -0.22  -0.18   0.15    -0.00   0.00   0.00     0.00   0.00   0.00
    25   1    -0.28  -0.10  -0.09    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    26   1    -0.16   0.26   0.20    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    27   1    -0.05   0.45  -0.04    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    28   1     0.01   0.27   0.30     0.00   0.00  -0.00     0.00   0.00   0.00
    29   6     0.02  -0.00  -0.00    -0.02   0.01  -0.00     0.00  -0.00  -0.02
    30   6    -0.01   0.01  -0.00    -0.04  -0.03   0.00    -0.00  -0.00  -0.05
    31   8    -0.00  -0.00   0.00     0.00  -0.02   0.00    -0.00  -0.00   0.00
    32   1     0.03  -0.01  -0.01     0.22   0.49   0.32     0.49   0.10   0.04
    33   1     0.01  -0.03  -0.00     0.20  -0.41   0.01     0.03   0.04   0.72
    34   1     0.03  -0.01   0.01     0.22   0.44  -0.41    -0.46  -0.07   0.06
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1484.9441              1488.7361              1496.5086
 Red. masses --      1.0625                 1.0552                 1.0502
 Frc consts  --      1.3804                 1.3780                 1.3858
 IR Inten    --      0.1744                 2.6765                 3.5817
 RamAct Fr= 1--     10.8476                 1.7798                 5.8495
  Dep-P Fr= 1--      0.7494                 0.7498                 0.7500
  Dep-U Fr= 1--      0.8568                 0.8570                 0.8571
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0000
 Beta2  Fr= 1--      1.5490                 0.2542                 0.8356
 AlphaG Fr= 1--      0.0020                -0.0001                -0.0001
 Gamma2 Fr= 1--      0.4582                -0.6714                 0.4922
 Delta2 Fr= 1--      0.4147                -0.2115                 0.0002
 Raman1 Fr= 1--      43.391                  7.119                 23.398
 ROA1   Fr= 1--      57.261                -71.225                 47.253
 CID1   Fr= 1--       1.320                -10.005                  2.020
 Raman2 Fr= 1--      18.588                  3.051                 10.028
 ROA2   Fr= 1--       7.680                -14.422                 11.811
 CID2   Fr= 1--       0.413                 -4.728                  1.178
 Raman3 Fr= 1--      37.176                  6.101                 20.055
 ROA3   Fr= 1--      57.261                -71.225                 47.253
 CID3   Fr= 1--       1.540                -11.674                  2.356
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.03    -0.00  -0.01  -0.01     0.00   0.00  -0.00
     2   6     0.00  -0.01   0.00    -0.01   0.03  -0.01     0.00  -0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.02   0.02  -0.03     0.01   0.00  -0.01    -0.00  -0.00  -0.00
     5   6     0.01   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.01   0.00    -0.00  -0.01  -0.00    -0.03   0.01   0.00
     7   1     0.11  -0.08  -0.22    -0.05   0.04   0.10    -0.00  -0.00   0.02
     8   1    -0.20  -0.13  -0.13     0.08   0.07   0.05     0.01   0.00   0.00
     9   1     0.04   0.08  -0.04    -0.12  -0.22   0.12    -0.01  -0.03  -0.03
    10   1    -0.07   0.07  -0.00     0.20  -0.17   0.03     0.01   0.00   0.02
    11   6    -0.01  -0.00   0.00    -0.00  -0.01  -0.01     0.00  -0.00   0.00
    12   1     0.01   0.02   0.00     0.00   0.01   0.01     0.01  -0.00  -0.01
    13   1    -0.18   0.04   0.25    -0.04   0.01   0.05     0.00  -0.00   0.01
    14   1    -0.06  -0.29   0.10    -0.02  -0.07   0.02     0.00  -0.00   0.00
    15   1    -0.07   0.03  -0.01     0.07  -0.02   0.01     0.00  -0.01   0.02
    16   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    17   6    -0.00  -0.01  -0.00    -0.00  -0.02  -0.01    -0.04   0.02   0.01
    18   6     0.01  -0.02   0.02     0.00  -0.02  -0.03     0.01   0.00  -0.00
    19   6    -0.03   0.00  -0.02    -0.02  -0.01   0.01    -0.01  -0.01   0.01
    20   1     0.06   0.10   0.01     0.13   0.19  -0.01    -0.11   0.06   0.35
    21   1    -0.05   0.05  -0.05    -0.13   0.17  -0.04     0.19  -0.50  -0.30
    22   1     0.05  -0.03   0.04     0.03  -0.09   0.13     0.60   0.10  -0.17
    23   1     0.00   0.09  -0.35     0.31  -0.09   0.20    -0.03  -0.00   0.02
    24   1    -0.13  -0.14   0.06    -0.04   0.35   0.37    -0.01  -0.01   0.00
    25   1    -0.02   0.36  -0.02    -0.29   0.08  -0.10    -0.01  -0.03  -0.01
    26   1     0.03   0.00   0.33    -0.12   0.17  -0.01    -0.10   0.13  -0.04
    27   1     0.37   0.07   0.08     0.20  -0.09   0.06     0.08  -0.05   0.02
    28   1    -0.01  -0.15  -0.17     0.20   0.09  -0.21     0.14   0.10  -0.10
    29   6    -0.01   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    30   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    31   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    32   1     0.00   0.01   0.00    -0.01   0.00  -0.00     0.01   0.01   0.00
    33   1     0.00   0.00   0.01     0.00  -0.00  -0.01     0.00  -0.00   0.01
    34   1    -0.01   0.00  -0.00     0.01   0.00  -0.00    -0.00   0.00  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1500.4883              1503.0821              1508.2507
 Red. masses --      1.0660                 1.0626                 1.0553
 Frc consts  --      1.4141                 1.4144                 1.4144
 IR Inten    --     10.6953                 7.6098                 1.1503
 RamAct Fr= 1--      1.5505                 0.8145                 3.0926
  Dep-P Fr= 1--      0.7069                 0.5719                 0.7476
  Dep-U Fr= 1--      0.8283                 0.7277                 0.8556
 Alpha2 Fr= 1--      0.0012                 0.0027                 0.0001
 Beta2  Fr= 1--      0.2140                 0.0988                 0.4410
 AlphaG Fr= 1--     -0.0090                 0.0155                -0.0019
 Gamma2 Fr= 1--     -0.8652                 1.4464                 0.0926
 Delta2 Fr= 1--      0.0137                 0.5619                 0.2362
 Raman1 Fr= 1--       6.202                  3.258                 12.370
 ROA1   Fr= 1--     -82.626                156.837                 16.447
 CID1   Fr= 1--     -13.322                 48.137                  1.330
 Raman2 Fr= 1--       2.569                  1.185                  5.292
 ROA2   Fr= 1--     -20.875                 30.219                  0.332
 CID2   Fr= 1--      -8.127                 25.491                  0.063
 Raman3 Fr= 1--       5.137                  2.371                 10.584
 ROA3   Fr= 1--     -82.626                156.837                 16.447
 CID3   Fr= 1--     -16.084                 66.150                  1.554
 RC180  Fr= 1--       0.657                  0.455                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.01    -0.01  -0.02  -0.03     0.01   0.01   0.02
     2   6     0.00  -0.00   0.00    -0.01   0.03  -0.02     0.01  -0.01   0.01
     3   6    -0.00  -0.00   0.01    -0.00  -0.00  -0.01     0.00   0.00  -0.00
     4   6    -0.03  -0.03   0.04     0.01   0.01  -0.01     0.01   0.01  -0.02
     5   6    -0.01  -0.00   0.00     0.01   0.00   0.00     0.01   0.01  -0.00
     6   6    -0.01  -0.01  -0.01    -0.01  -0.00   0.00    -0.01  -0.03  -0.00
     7   1    -0.04   0.03   0.08    -0.13   0.11   0.26     0.08  -0.06  -0.17
     8   1     0.06   0.03   0.05     0.23   0.16   0.14    -0.14  -0.09  -0.10
     9   1     0.01   0.02  -0.02    -0.13  -0.25   0.13     0.05   0.10  -0.07
    10   1    -0.02   0.02  -0.01     0.24  -0.20   0.05    -0.09   0.10   0.00
    11   6     0.01  -0.00   0.00    -0.01   0.02  -0.01     0.00   0.01   0.01
    12   1     0.01  -0.02  -0.01    -0.01   0.02   0.01    -0.00   0.00  -0.00
    13   1     0.30  -0.06  -0.38    -0.11   0.02   0.15    -0.13   0.03   0.17
    14   1     0.10   0.44  -0.14    -0.04  -0.18   0.05    -0.04  -0.19   0.06
    15   1     0.04  -0.01  -0.01    -0.06   0.03  -0.01     0.02   0.00  -0.00
    16   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    17   6    -0.02  -0.03  -0.01    -0.01  -0.01  -0.00    -0.01  -0.03  -0.01
    18   6     0.00  -0.01   0.02    -0.00   0.02   0.01    -0.01   0.02  -0.00
    19   6    -0.00  -0.01  -0.01    -0.00   0.01  -0.03     0.02  -0.01   0.02
    20   1     0.20   0.34   0.07     0.08   0.15   0.05     0.26   0.41   0.04
    21   1    -0.17   0.16  -0.13    -0.06   0.03  -0.09    -0.23   0.23  -0.17
    22   1     0.20  -0.12   0.17     0.14  -0.04   0.05     0.20  -0.15   0.21
    23   1    -0.01   0.08  -0.28    -0.17   0.00   0.06    -0.11  -0.03   0.14
    24   1    -0.08  -0.14  -0.00     0.09  -0.10  -0.22     0.09  -0.03  -0.16
    25   1     0.03   0.24   0.00     0.14  -0.21   0.06     0.12  -0.23   0.05
    26   1     0.01   0.00   0.11     0.15  -0.16   0.31    -0.06   0.04  -0.28
    27   1     0.03   0.08   0.00     0.10   0.19   0.01    -0.23  -0.11  -0.05
    28   1    -0.04  -0.01   0.04    -0.21  -0.22   0.08     0.07   0.14   0.06
    29   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    30   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    33   1     0.00  -0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00  -0.00
    34   1     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1513.4308              1523.1423              1528.4381
 Red. masses --      1.0710                 1.0621                 1.0850
 Frc consts  --      1.4454                 1.4518                 1.4934
 IR Inten    --      3.0945                 7.4278                 9.6850
 RamAct Fr= 1--      5.2209                 2.4210                 5.1192
  Dep-P Fr= 1--      0.6996                 0.7425                 0.5790
  Dep-U Fr= 1--      0.8233                 0.8522                 0.7334
 Alpha2 Fr= 1--      0.0046                 0.0003                 0.0164
 Beta2  Fr= 1--      0.7164                 0.3439                 0.6257
 AlphaG Fr= 1--     -0.0003                -0.0022                 0.0101
 Gamma2 Fr= 1--     -0.2890                -1.1568                 0.3013
 Delta2 Fr= 1--      0.0669                -0.7956                 0.1811
 Raman1 Fr= 1--      20.883                  9.684                 20.477
 ROA1   Fr= 1--     -25.602               -136.509                 34.715
 CID1   Fr= 1--      -1.226                -14.096                  1.695
 Raman2 Fr= 1--       8.596                  4.126                  7.508
 ROA2   Fr= 1--      -7.471                -21.398                  5.781
 CID2   Fr= 1--      -0.869                 -5.186                  0.770
 Raman3 Fr= 1--      17.192                  8.253                 15.017
 ROA3   Fr= 1--     -25.602               -136.509                 34.715
 CID3   Fr= 1--      -1.489                -16.541                  2.312
 RC180  Fr= 1--       0.647                  0.704                  0.467
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02  -0.02     0.00  -0.00   0.00    -0.01  -0.04  -0.04
     2   6     0.00  -0.03   0.01     0.01  -0.04   0.01     0.01  -0.04   0.01
     3   6     0.01   0.00  -0.01     0.00   0.00   0.01    -0.00   0.00  -0.01
     4   6    -0.00  -0.01   0.01    -0.01  -0.00   0.00     0.02   0.01  -0.01
     5   6    -0.00  -0.00  -0.00     0.01   0.00  -0.00     0.01   0.00  -0.00
     6   6     0.01  -0.01   0.01    -0.00  -0.01   0.01    -0.00  -0.00   0.01
     7   1    -0.08   0.06   0.14     0.02  -0.02  -0.03    -0.21   0.16   0.40
     8   1     0.13   0.09   0.08    -0.02  -0.02  -0.01     0.35   0.25   0.21
     9   1     0.10   0.18  -0.08     0.16   0.30  -0.15     0.14   0.25  -0.14
    10   1    -0.16   0.14  -0.02    -0.28   0.25  -0.02    -0.24   0.21  -0.03
    11   6    -0.04   0.02   0.01    -0.00   0.01  -0.03     0.01  -0.01   0.01
    12   1    -0.03   0.00   0.02    -0.01  -0.01   0.01    -0.01  -0.01  -0.02
    13   1     0.03  -0.01  -0.07     0.05  -0.01  -0.06    -0.15   0.03   0.18
    14   1     0.01   0.06  -0.03     0.03   0.07  -0.01    -0.06  -0.21   0.06
    15   1     0.03  -0.03   0.02    -0.07   0.02  -0.01    -0.02   0.01   0.00
    16   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   6     0.01  -0.00   0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    18   6     0.00   0.02   0.00    -0.01  -0.00  -0.03    -0.01  -0.02   0.01
    19   6    -0.03  -0.02   0.01    -0.00   0.01  -0.02     0.01   0.01   0.01
    20   1     0.02  -0.04  -0.11     0.03   0.08   0.04     0.02   0.03   0.01
    21   1    -0.04   0.09   0.05    -0.02  -0.02  -0.07    -0.01   0.01  -0.02
    22   1    -0.14   0.01  -0.00     0.11  -0.01   0.01     0.02  -0.01   0.01
    23   1    -0.18  -0.01   0.10     0.20  -0.11   0.36     0.13   0.04  -0.21
    24   1     0.11  -0.09  -0.24     0.10   0.32   0.15    -0.07  -0.00   0.10
    25   1     0.18  -0.24   0.06    -0.14  -0.20  -0.04    -0.03   0.27  -0.02
    26   1    -0.18   0.29   0.14     0.15  -0.16   0.31     0.01  -0.04  -0.17
    27   1     0.43  -0.11   0.11     0.11   0.21   0.01    -0.17  -0.07  -0.04
    28   1     0.28   0.06  -0.37    -0.21  -0.22   0.07    -0.01   0.05   0.07
    29   6     0.00   0.00   0.00    -0.01   0.00   0.00    -0.01   0.00  -0.00
    30   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    33   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.01
    34   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1788.9246              3029.7172              3033.5596
 Red. masses --     11.1076                 1.0352                 1.0402
 Frc consts  --     20.9438                 5.5985                 5.6400
 IR Inten    --    241.8387                22.2010                11.2107
 RamAct Fr= 1--      9.3222                79.4680                 8.5516
  Dep-P Fr= 1--      0.1980                 0.0135                 0.7490
  Dep-U Fr= 1--      0.3305                 0.0266                 0.8565
 Alpha2 Fr= 1--      0.1273                 1.7111                 0.0001
 Beta2  Fr= 1--      0.5136                 0.3528                 1.2207
 AlphaG Fr= 1--     -0.0519                -0.1696                 0.0017
 Gamma2 Fr= 1--     -0.5922                -0.6483                 0.2423
 Delta2 Fr= 1--     -0.0220                -1.7805                 0.7504
 Raman1 Fr= 1--      37.289                317.872                 34.207
 ROA1   Fr= 1--     -57.558               -119.208                 47.276
 CID1   Fr= 1--      -1.544                 -0.375                  1.382
 Raman2 Fr= 1--       6.163                  4.234                 14.649
 ROA2   Fr= 1--     -14.038                 -1.314                 -0.187
 CID2   Fr= 1--      -2.278                 -0.310                 -0.013
 Raman3 Fr= 1--      12.325                  8.468                 29.298
 ROA3   Fr= 1--     -57.558               -119.208                 47.276
 CID3   Fr= 1--      -4.670                -14.077                  1.614
 RC180  Fr= 1--      -0.339                 -0.947                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     4   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.02   0.03  -0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.01  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     7   1     0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.02   0.01   0.00
     8   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.00   0.01
     9   1    -0.01  -0.02   0.01    -0.02   0.01   0.00    -0.01   0.00   0.00
    10   1     0.01  -0.02   0.00     0.03   0.03  -0.02     0.01   0.01  -0.01
    11   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    12   1     0.01   0.01   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   1     0.05   0.00   0.02     0.00   0.00  -0.00     0.00   0.01  -0.00
    14   1     0.01   0.03  -0.02    -0.00   0.00   0.00     0.01  -0.00  -0.01
    15   1     0.14   0.01   0.01    -0.00  -0.01  -0.01     0.00   0.01   0.01
    16   8     0.00  -0.05   0.01     0.00   0.00   0.00     0.00   0.00  -0.00
    17   6    -0.00   0.00  -0.00    -0.00   0.00  -0.05    -0.00  -0.00   0.00
    18   6     0.00  -0.00   0.00    -0.01   0.00   0.00     0.04  -0.00  -0.01
    19   6     0.00  -0.00   0.00    -0.00   0.01   0.00    -0.02   0.03   0.01
    20   1    -0.01  -0.00   0.01     0.44  -0.29   0.13    -0.02   0.01  -0.00
    21   1     0.00  -0.01  -0.00    -0.44  -0.28   0.15     0.03   0.02  -0.01
    22   1     0.01  -0.00   0.01     0.01   0.53   0.30    -0.00   0.00   0.00
    23   1    -0.00  -0.00   0.00     0.00   0.03   0.01     0.00  -0.23  -0.07
    24   1     0.01   0.01  -0.00     0.04  -0.03   0.03    -0.34   0.25  -0.27
    25   1    -0.00  -0.00   0.00     0.02  -0.00  -0.07    -0.11   0.03   0.45
    26   1    -0.00   0.00  -0.00    -0.04  -0.02   0.01    -0.20  -0.11   0.03
    27   1    -0.00   0.00   0.00     0.03   0.00  -0.11     0.10   0.01  -0.44
    28   1     0.00  -0.00  -0.00     0.07  -0.04   0.05     0.34  -0.22   0.23
    29   6     0.00   0.76  -0.08    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    30   6     0.03  -0.07   0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    31   8    -0.03  -0.48   0.05     0.00   0.00   0.00    -0.00   0.00  -0.00
    32   1     0.05  -0.17  -0.07     0.00   0.00  -0.00    -0.00  -0.00   0.00
    33   1    -0.12   0.25  -0.02    -0.00  -0.00   0.00     0.00  -0.00   0.00
    34   1     0.05  -0.15   0.09     0.00   0.00   0.00     0.00   0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3040.1271              3054.5447              3055.9499
 Red. masses --      1.0402                 1.0366                 1.0609
 Frc consts  --      5.6643                 5.6983                 5.8374
 IR Inten    --     51.8768                 2.5299                29.8673
 RamAct Fr= 1--    349.8331               189.0812                80.9762
  Dep-P Fr= 1--      0.0338                 0.0080                 0.3300
  Dep-U Fr= 1--      0.0654                 0.0158                 0.4963
 Alpha2 Fr= 1--      7.1805                 4.1244                 0.7576
 Beta2  Fr= 1--      3.8160                 0.4976                 6.6980
 AlphaG Fr= 1--     -0.0945                 0.0397                -0.0308
 Gamma2 Fr= 1--      0.1043                 0.0667                -4.1088
 Delta2 Fr= 1--      2.5173                -0.1821                -3.5159
 Raman1 Fr= 1--    1399.332                756.325                323.905
 ROA1   Fr= 1--      90.569                  0.572               -506.957
 CID1   Fr= 1--       0.065                  0.001                 -1.565
 Raman2 Fr= 1--      45.792                  5.971                 80.376
 ROA2   Fr= 1--     -17.634                  3.057                -70.484
 CID2   Fr= 1--      -0.385                  0.512                 -0.877
 Raman3 Fr= 1--      91.584                 11.942                160.752
 ROA3   Fr= 1--      90.569                  0.572               -506.957
 CID3   Fr= 1--       0.989                  0.048                 -3.154
 RC180  Fr= 1--      -0.869                 -0.968                 -0.007
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.03  -0.05
     2   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.02  -0.01
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.01   0.01
     4   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     7   1     0.03   0.01   0.01     0.00   0.00   0.00     0.58   0.26   0.14
     8   1    -0.02   0.00   0.02    -0.00   0.00   0.00    -0.46   0.14   0.48
     9   1    -0.02   0.01   0.00     0.00  -0.00  -0.00     0.11  -0.05  -0.01
    10   1     0.03   0.03  -0.02     0.00  -0.00  -0.00    -0.16  -0.15   0.09
    11   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   1     0.03  -0.02   0.03    -0.00   0.00  -0.00    -0.12   0.10  -0.15
    13   1    -0.00  -0.02   0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
    14   1    -0.01   0.01   0.01     0.00  -0.00  -0.00     0.03  -0.02  -0.04
    15   1    -0.00  -0.02  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    16   8     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   6    -0.00   0.00  -0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   6     0.04  -0.00  -0.01     0.00   0.00   0.00    -0.00   0.00   0.00
    19   6     0.02  -0.03  -0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1     0.09  -0.06   0.03     0.00  -0.00   0.00     0.00  -0.00   0.00
    21   1    -0.08  -0.05   0.03    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1     0.00   0.09   0.05     0.00   0.00   0.00     0.00   0.02   0.01
    23   1     0.00  -0.22  -0.06    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    24   1    -0.32   0.24  -0.26    -0.00   0.00  -0.00     0.02  -0.01   0.01
    25   1    -0.10   0.03   0.41    -0.00   0.00   0.00     0.00   0.00  -0.01
    26   1     0.21   0.12  -0.03     0.00   0.00  -0.00     0.00   0.00  -0.00
    27   1    -0.10  -0.01   0.44    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    28   1    -0.35   0.23  -0.24    -0.00   0.00  -0.00     0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    30   6     0.00  -0.00   0.00    -0.02   0.04  -0.00     0.00  -0.00   0.00
    31   8     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    32   1     0.00   0.00  -0.00    -0.02  -0.32   0.54     0.00   0.00  -0.00
    33   1    -0.00  -0.00   0.00     0.35   0.22  -0.03    -0.00  -0.00   0.00
    34   1     0.00   0.00   0.00    -0.05  -0.42  -0.51     0.00   0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3067.5574              3069.4327              3080.4378
 Red. masses --      1.0702                 1.0676                 1.1012
 Frc consts  --      5.9336                 5.9263                 6.1567
 IR Inten    --     34.6101                11.7044                 1.3800
 RamAct Fr= 1--    109.2258                61.3926                 5.0107
  Dep-P Fr= 1--      0.0770                 0.3768                 0.5473
  Dep-U Fr= 1--      0.1431                 0.5473                 0.7074
 Alpha2 Fr= 1--      2.0222                 0.4932                 0.0195
 Beta2  Fr= 1--      2.6041                 5.6001                 0.5908
 AlphaG Fr= 1--      0.1128                -0.0079                 0.0728
 Gamma2 Fr= 1--      5.0507                 9.3051                -8.2179
 Delta2 Fr= 1--      4.3295                 3.5991                -5.1532
 Raman1 Fr= 1--     436.903                245.570                 20.043
 ROA1   Fr= 1--     623.414               1008.461               -953.821
 CID1   Fr= 1--       1.427                  4.107                -47.589
 Raman2 Fr= 1--      31.250                 67.201                  7.089
 ROA2   Fr= 1--      86.581                194.530               -156.005
 CID2   Fr= 1--       2.771                  2.895                -22.006
 Raman3 Fr= 1--      62.499                134.403                 14.179
 ROA3   Fr= 1--     623.414               1008.461               -953.821
 CID3   Fr= 1--       9.975                  7.503                -67.272
 RC180  Fr= 1--      -0.714                  0.095                  0.415
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.02    -0.01  -0.00   0.01     0.00   0.00  -0.00
     2   6    -0.03  -0.06   0.03    -0.00  -0.01   0.00    -0.00  -0.00   0.00
     3   6     0.01  -0.00   0.01     0.02  -0.02   0.03    -0.00   0.00  -0.00
     4   6    -0.01  -0.00   0.01     0.04   0.02  -0.04     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   1     0.02   0.01   0.00     0.06   0.03   0.02    -0.03  -0.01  -0.01
     8   1    -0.19   0.06   0.21     0.09  -0.03  -0.09    -0.03   0.01   0.03
     9   1    -0.27   0.12   0.02    -0.06   0.03   0.00     0.01  -0.00  -0.00
    10   1     0.59   0.55  -0.35     0.06   0.05  -0.03     0.01   0.01  -0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    12   1    -0.07   0.05  -0.08    -0.25   0.21  -0.32     0.01  -0.01   0.02
    13   1     0.00   0.06  -0.00    -0.01  -0.48   0.03    -0.00  -0.03   0.00
    14   1     0.07  -0.05  -0.08    -0.43   0.29   0.49    -0.02   0.02   0.03
    15   1     0.00   0.02   0.02     0.00   0.01   0.01    -0.00  -0.00  -0.00
    16   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    17   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.01  -0.02  -0.00
    18   6    -0.00   0.01   0.00    -0.00   0.00  -0.00    -0.02   0.02  -0.06
    19   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.02  -0.02   0.06
    20   1    -0.03   0.02  -0.01     0.01  -0.01   0.00    -0.04   0.02  -0.01
    21   1    -0.02  -0.01   0.00    -0.00   0.00  -0.00     0.12   0.07  -0.04
    22   1     0.00  -0.06  -0.04    -0.00  -0.02  -0.01     0.00   0.14   0.08
    23   1    -0.00  -0.04  -0.01    -0.00  -0.02  -0.01    -0.00  -0.01  -0.02
    24   1     0.03  -0.02   0.03     0.00  -0.00   0.00     0.33  -0.24   0.25
    25   1     0.01  -0.00  -0.04    -0.00   0.00   0.01    -0.13   0.04   0.48
    26   1    -0.01  -0.01   0.00     0.02   0.02  -0.00    -0.00  -0.01   0.02
    27   1    -0.00   0.00   0.00    -0.01   0.00   0.01     0.12  -0.00  -0.47
    28   1     0.01  -0.01   0.01     0.03  -0.02   0.02    -0.35   0.23  -0.23
    29   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    30   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    31   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    33   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    34   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3081.7172              3086.5526              3088.2269
 Red. masses --      1.0833                 1.1003                 1.1005
 Frc consts  --      6.0618                 6.1762                 6.1836
 IR Inten    --     37.5755                61.2116                30.9320
 RamAct Fr= 1--    266.0261                32.3086               114.6193
  Dep-P Fr= 1--      0.0656                 0.7333                 0.3864
  Dep-U Fr= 1--      0.1231                 0.8462                 0.5574
 Alpha2 Fr= 1--      5.0625                 0.0092                 0.8906
 Beta2  Fr= 1--      5.4591                 4.5563                10.6489
 AlphaG Fr= 1--     -0.1367                 0.0023                -0.5489
 Gamma2 Fr= 1--      9.1352                18.4953               -24.5028
 Delta2 Fr= 1--      1.6493                 2.7716                -3.1330
 Raman1 Fr= 1--    1064.104                129.234                458.477
 ROA1   Fr= 1--     929.761               1864.238              -2452.526
 CID1   Fr= 1--       0.874                 14.425                 -5.349
 Raman2 Fr= 1--      65.509                 54.676                127.786
 ROA2   Fr= 1--     206.051                421.714               -563.003
 CID2   Fr= 1--       3.145                  7.713                 -4.406
 Raman3 Fr= 1--     131.018                109.352                255.573
 ROA3   Fr= 1--     929.761               1864.238              -2452.526
 CID3   Fr= 1--       7.096                 17.048                 -9.596
 RC180  Fr= 1--      -0.754                  0.692                  0.115
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.02     0.01   0.00  -0.00    -0.08  -0.01   0.02
     2   6    -0.01  -0.00   0.00    -0.00   0.00  -0.00     0.02  -0.02   0.00
     3   6    -0.04   0.03  -0.05    -0.00   0.00  -0.01    -0.01   0.01  -0.02
     4   6     0.02   0.00  -0.03     0.00   0.00  -0.00     0.00  -0.01  -0.00
     5   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     7   1    -0.01  -0.00  -0.01    -0.09  -0.04  -0.03     0.63   0.29   0.18
     8   1    -0.21   0.07   0.23    -0.07   0.03   0.08     0.33  -0.12  -0.37
     9   1     0.05  -0.03  -0.00     0.04  -0.02  -0.00    -0.27   0.13   0.01
    10   1     0.06   0.06  -0.03    -0.01  -0.01   0.01     0.06   0.05  -0.03
    11   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   1     0.44  -0.36   0.54     0.06  -0.05   0.07     0.15  -0.12   0.18
    13   1    -0.01  -0.20   0.01    -0.00  -0.02   0.00     0.00   0.10  -0.01
    14   1    -0.27   0.18   0.30    -0.02   0.02   0.03    -0.01   0.01   0.02
    15   1     0.00   0.02   0.01     0.00   0.01   0.01     0.01   0.03   0.02
    16   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    17   6     0.01  -0.00   0.00    -0.03   0.04   0.00    -0.01   0.01   0.00
    18   6     0.00  -0.00   0.01    -0.01   0.01  -0.05    -0.00   0.01  -0.01
    19   6    -0.00   0.00   0.01    -0.02   0.01  -0.04     0.00   0.00  -0.00
    20   1    -0.05   0.03  -0.02     0.37  -0.24   0.12     0.06  -0.04   0.02
    21   1    -0.03  -0.02   0.01     0.06   0.05  -0.02     0.00   0.00  -0.00
    22   1     0.00  -0.00  -0.00    -0.01  -0.27  -0.15    -0.00  -0.07  -0.04
    23   1     0.00   0.01   0.01    -0.00   0.01  -0.01    -0.00  -0.07  -0.02
    24   1    -0.04   0.03  -0.03     0.28  -0.20   0.21     0.07  -0.05   0.05
    25   1     0.03  -0.01  -0.12    -0.12   0.03   0.42    -0.01   0.01   0.03
    26   1    -0.01  -0.00   0.00     0.01   0.01  -0.01    -0.03  -0.02   0.00
    27   1     0.02  -0.00  -0.07    -0.09   0.00   0.36    -0.00   0.00   0.01
    28   1    -0.00   0.00  -0.00     0.28  -0.18   0.18     0.01  -0.01   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    31   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    33   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    34   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3089.2548              3092.8392              3099.9202
 Red. masses --      1.1004                 1.1006                 1.0889
 Frc consts  --      6.1874                 6.2028                 6.1650
 IR Inten    --     20.0936                27.1032                 9.1174
 RamAct Fr= 1--    154.8318                79.5021                58.9280
  Dep-P Fr= 1--      0.6984                 0.6472                 0.3464
  Dep-U Fr= 1--      0.8224                 0.7858                 0.5145
 Alpha2 Fr= 1--      0.1394                 0.1470                 0.5234
 Beta2  Fr= 1--     21.2229                10.4127                 5.0533
 AlphaG Fr= 1--     -0.0777                 0.1258                 0.6435
 Gamma2 Fr= 1--    -25.2357                20.8495               -19.2793
 Delta2 Fr= 1--     -9.8216                10.1644               -12.6583
 Raman1 Fr= 1--     619.327                318.008                235.712
 ROA1   Fr= 1--   -2736.920               2326.812              -2255.874
 CID1   Fr= 1--      -4.419                  7.317                 -9.570
 Raman2 Fr= 1--     254.675                124.952                 60.640
 ROA2   Fr= 1--    -527.084                419.072               -361.436
 CID2   Fr= 1--      -2.070                  3.354                 -5.960
 Raman3 Fr= 1--     509.351                249.904                121.280
 ROA3   Fr= 1--   -2736.920               2326.812              -2255.874
 CID3   Fr= 1--      -5.373                  9.311                -18.601
 RC180  Fr= 1--       0.645                  0.572                  0.029
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.03   0.01
     5   6     0.00   0.01   0.01     0.00   0.01   0.01    -0.02  -0.06  -0.05
     6   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   1     0.03   0.02   0.01     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   1     0.01  -0.01  -0.02    -0.01   0.00   0.01     0.01  -0.00  -0.01
     9   1    -0.02   0.01   0.00    -0.06   0.03   0.00    -0.00   0.00  -0.00
    10   1     0.02   0.02  -0.01     0.03   0.03  -0.02    -0.01  -0.01   0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   1     0.03  -0.02   0.03     0.01  -0.01   0.01     0.01  -0.01   0.02
    13   1     0.00   0.02  -0.00     0.00   0.03  -0.00    -0.01  -0.30   0.02
    14   1    -0.01   0.01   0.01    -0.02   0.01   0.02     0.12  -0.07  -0.13
    15   1    -0.02  -0.09  -0.07    -0.02  -0.10  -0.08     0.16   0.71   0.53
    16   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    17   6     0.03  -0.07  -0.01    -0.08  -0.04  -0.00    -0.01  -0.01  -0.00
    18   6    -0.01   0.01  -0.02     0.00  -0.01   0.02     0.00   0.00   0.00
    19   6    -0.02   0.01  -0.04    -0.00  -0.00  -0.00     0.01   0.00  -0.01
    20   1    -0.46   0.29  -0.15     0.30  -0.22   0.10    -0.01   0.00  -0.00
    21   1     0.06   0.02  -0.02     0.65   0.41  -0.23     0.09   0.05  -0.03
    22   1     0.02   0.50   0.29    -0.01   0.30   0.18     0.00   0.12   0.07
    23   1    -0.00  -0.02  -0.01     0.00   0.01   0.01     0.00  -0.00  -0.00
    24   1     0.14  -0.10   0.11    -0.09   0.07  -0.07    -0.00   0.00  -0.00
    25   1    -0.06   0.02   0.20     0.05  -0.01  -0.18     0.00  -0.00  -0.00
    26   1     0.04   0.03  -0.02     0.01   0.01  -0.00    -0.11  -0.07   0.02
    27   1    -0.09   0.00   0.34    -0.00  -0.00   0.01    -0.02   0.00   0.09
    28   1     0.25  -0.16   0.16     0.01  -0.00   0.00    -0.00   0.01  -0.01
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    31   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    32   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    33   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.00   0.00
    34   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3112.1729              3113.4638              3118.5311
 Red. masses --      1.0997                 1.1009                 1.0989
 Frc consts  --      6.2755                 6.2879                 6.2965
 IR Inten    --      5.1083                16.7982                47.2973
 RamAct Fr= 1--     52.0321                69.3219                63.5101
  Dep-P Fr= 1--      0.7482                 0.3239                 0.5480
  Dep-U Fr= 1--      0.8559                 0.4893                 0.7080
 Alpha2 Fr= 1--      0.0016                 0.6611                 0.2455
 Beta2  Fr= 1--      7.4228                 5.6530                 7.4945
 AlphaG Fr= 1--      0.0064                 1.1098                 0.0123
 Gamma2 Fr= 1--      4.5728                 9.6561                 9.1135
 Delta2 Fr= 1--      3.5198                 3.5981                 4.5710
 Raman1 Fr= 1--     208.128                277.287                254.040
 ROA1   Fr= 1--     551.625               1042.127               1021.167
 CID1   Fr= 1--       2.650                  3.758                  4.020
 Raman2 Fr= 1--      89.073                 67.836                 89.934
 ROA2   Fr= 1--      81.589                202.962                182.156
 CID2   Fr= 1--       0.916                  2.992                  2.025
 Raman3 Fr= 1--     178.146                135.672                179.869
 ROA3   Fr= 1--     551.625               1042.127               1021.167
 CID3   Fr= 1--       3.096                  7.681                  5.677
 RC180  Fr= 1--       0.712                 -0.021                  0.416
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.00   0.01
     2   6     0.00  -0.00  -0.00    -0.02   0.01   0.00    -0.08   0.01   0.01
     3   6    -0.00   0.00  -0.00     0.01  -0.00   0.01    -0.00   0.00  -0.00
     4   6    -0.00   0.00   0.00     0.02  -0.07  -0.02    -0.01   0.02   0.01
     5   6     0.00   0.00   0.00    -0.00  -0.02  -0.01     0.00   0.01   0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00     0.15   0.07   0.05
     8   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.14  -0.05  -0.15
     9   1    -0.01   0.00   0.00     0.22  -0.11  -0.01     0.76  -0.38  -0.03
    10   1    -0.00  -0.00   0.00     0.04   0.04  -0.03     0.20   0.21  -0.13
    11   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    12   1     0.00  -0.00   0.00    -0.06   0.05  -0.07     0.01  -0.01   0.02
    13   1    -0.00  -0.03   0.00     0.03   0.72  -0.06    -0.01  -0.17   0.01
    14   1     0.01  -0.00  -0.01    -0.27   0.16   0.31     0.08  -0.05  -0.09
    15   1    -0.00  -0.01  -0.01     0.05   0.22   0.16    -0.01  -0.06  -0.04
    16   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   6     0.00  -0.00  -0.00    -0.00   0.01   0.00    -0.00   0.01   0.01
    19   6    -0.00  -0.00   0.00     0.03   0.01  -0.01    -0.01  -0.00   0.00
    20   1     0.00  -0.00   0.00    -0.01   0.00  -0.00     0.02  -0.02   0.01
    21   1     0.00   0.00  -0.00     0.01   0.01  -0.00     0.03   0.02  -0.01
    22   1    -0.00  -0.00  -0.00     0.00   0.03   0.02    -0.00   0.01   0.00
    23   1     0.00   0.00   0.00    -0.00  -0.06  -0.02    -0.00  -0.16  -0.05
    24   1    -0.00   0.00  -0.00     0.01  -0.01   0.01     0.03  -0.02   0.02
    25   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.01   0.00  -0.05
    26   1     0.01   0.01  -0.00    -0.28  -0.17   0.04     0.06   0.04  -0.01
    27   1     0.00  -0.00  -0.00    -0.02   0.00   0.10     0.00  -0.00  -0.02
    28   1     0.00  -0.00   0.00    -0.05   0.04  -0.04     0.02  -0.01   0.01
    29   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    30   6    -0.00  -0.01  -0.09     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    31   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    32   1    -0.02  -0.39   0.60    -0.00  -0.01   0.02     0.00  -0.00   0.00
    33   1     0.03   0.02  -0.02    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    34   1     0.05   0.46   0.52     0.00   0.02   0.02     0.00   0.00   0.00
                     94                     95                     96
                      A                      A                      A
 Frequencies --   3129.5554              3131.1019              3159.5195
 Red. masses --      1.0947                 1.0953                 1.1027
 Frc consts  --      6.3170                 6.3269                 6.4854
 IR Inten    --     26.4264                23.3661                 8.1023
 RamAct Fr= 1--     59.7788                58.1276                77.9161
  Dep-P Fr= 1--      0.3658                 0.6009                 0.6107
  Dep-U Fr= 1--      0.5357                 0.7507                 0.7583
 Alpha2 Fr= 1--      0.4982                 0.1604                 0.1996
 Beta2  Fr= 1--      5.3368                 7.2725                 9.8478
 AlphaG Fr= 1--      0.4637                 0.0399                -0.0501
 Gamma2 Fr= 1--     -2.2107                 2.4217                -1.4058
 Delta2 Fr= 1--      0.8824                -1.0610                -0.6870
 Raman1 Fr= 1--     239.115                232.510                311.664
 ROA1   Fr= 1--    -183.992                198.527               -156.939
 CID1   Fr= 1--      -0.769                  0.854                 -0.504
 Raman2 Fr= 1--      64.042                 87.271                118.174
 ROA2   Fr= 1--     -60.117                 66.608                -28.243
 CID2   Fr= 1--      -0.939                  0.763                 -0.239
 Raman3 Fr= 1--     128.084                174.541                236.347
 ROA3   Fr= 1--    -183.992                198.527               -156.939
 CID3   Fr= 1--      -1.436                  1.137                 -0.664
 RC180  Fr= 1--       0.071                  0.501                  0.517
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00   0.00    -0.02  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.03  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.02  -0.01     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   1     0.00   0.00   0.00     0.10   0.04   0.03    -0.00  -0.00  -0.00
     8   1     0.00   0.00  -0.00     0.03  -0.01  -0.04    -0.00   0.00   0.00
     9   1     0.01  -0.01  -0.00     0.11  -0.06  -0.00    -0.00   0.00   0.00
    10   1     0.00   0.01  -0.00     0.08   0.08  -0.05    -0.00  -0.00   0.00
    11   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    12   1    -0.01   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   1     0.01   0.27  -0.02     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    14   1    -0.07   0.04   0.08    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1     0.05   0.21   0.16    -0.00  -0.00  -0.00     0.00   0.01   0.00
    16   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    17   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    18   6     0.00  -0.00  -0.00     0.01  -0.08  -0.03     0.00  -0.00  -0.00
    19   6    -0.07  -0.03   0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1     0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22   1    -0.00   0.00   0.00     0.00   0.01   0.01     0.00   0.00   0.00
    23   1     0.00   0.04   0.01     0.02   0.89   0.25     0.00   0.00   0.00
    24   1    -0.01   0.00  -0.00    -0.14   0.09  -0.12    -0.00   0.00  -0.00
    25   1    -0.00   0.00   0.00    -0.05  -0.00   0.22    -0.00   0.00   0.00
    26   1     0.74   0.44  -0.11    -0.04  -0.02   0.01     0.00   0.00  -0.00
    27   1     0.04  -0.00  -0.22    -0.00   0.00   0.01    -0.00  -0.00   0.00
    28   1     0.12  -0.10   0.10    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    29   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.07  -0.06   0.01
    31   8    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    32   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.15  -0.26
    33   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.78   0.46  -0.06
    34   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.16   0.21

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  8 and mass  15.99491
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  6 and mass  12.00000
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  6 and mass  12.00000
 Atom    31 has atomic number  8 and mass  15.99491
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Molecular mass:   196.14633 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1396.385173819.652813882.59467
           X            0.99982  -0.01825  -0.00573
           Y            0.01847   0.99900   0.04084
           Z            0.00498  -0.04094   0.99915
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06203     0.02268     0.02231
 Rotational constants (GHZ):           1.29244     0.47249     0.46483
 Zero-point vibrational energy     793809.7 (Joules/Mol)
                                  189.72508 (Kcal/Mol)
 Warning -- explicit consideration of  22 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     58.26    72.15   105.19   139.51   213.80
          (Kelvin)            281.91   315.99   321.43   338.48   343.69
                              349.87   387.40   478.08   503.26   524.92
                              581.48   622.29   684.77   741.47   758.85
                              839.84   854.83   893.19   925.82   954.29
                             1080.17  1151.59  1202.02  1222.65  1290.89
                             1327.73  1340.68  1370.33  1380.40  1386.64
                             1401.47  1436.72  1450.32  1473.14  1509.37
                             1522.05  1537.22  1541.24  1593.55  1638.71
                             1673.99  1687.81  1714.21  1763.08  1777.54
                             1805.62  1815.66  1828.34  1847.44  1882.05
                             1889.57  1923.20  1930.97  1961.31  2010.17
                             2023.53  2033.00  2042.42  2058.54  2117.27
                             2126.66  2136.50  2141.96  2153.14  2158.87
                             2162.60  2170.04  2177.49  2191.46  2199.08
                             2573.86  4359.09  4364.62  4374.06  4394.81
                             4396.83  4413.53  4416.23  4432.06  4433.90
                             4440.86  4443.27  4444.75  4449.91  4460.09
                             4477.72  4479.58  4486.87  4502.73  4504.96
                             4545.84
 
 Zero-point correction=                           0.302346 (Hartree/Particle)
 Thermal correction to Energy=                    0.316883
 Thermal correction to Enthalpy=                  0.317827
 Thermal correction to Gibbs Free Energy=         0.261350
 Sum of electronic and zero-point Energies=           -619.787303
 Sum of electronic and thermal Energies=              -619.772766
 Sum of electronic and thermal Enthalpies=            -619.771822
 Sum of electronic and thermal Free Energies=         -619.828299
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  198.847             56.782            118.866
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.726
 Rotational               0.889              2.981             31.405
 Vibrational            197.069             50.820             45.735
 Vibration     1          0.594              1.981              5.235
 Vibration     2          0.595              1.978              4.812
 Vibration     3          0.599              1.967              4.068
 Vibration     4          0.603              1.951              3.514
 Vibration     5          0.618              1.904              2.690
 Vibration     6          0.636              1.846              2.171
 Vibration     7          0.647              1.811              1.962
 Vibration     8          0.649              1.805              1.931
 Vibration     9          0.655              1.787              1.838
 Vibration    10          0.657              1.781              1.811
 Vibration    11          0.659              1.774              1.780
 Vibration    12          0.674              1.730              1.601
 Vibration    13          0.714              1.611              1.249
 Vibration    14          0.727              1.576              1.167
 Vibration    15          0.738              1.545              1.101
 Vibration    16          0.769              1.461              0.948
 Vibration    17          0.793              1.399              0.850
 Vibration    18          0.833              1.303              0.721
 Vibration    19          0.870              1.216              0.621
 Vibration    20          0.882              1.189              0.593
 Vibration    21          0.941              1.067              0.479
 Vibration    22          0.952              1.044              0.460
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.612970-120       -120.212561       -276.799651
 Total V=0       0.719272D+19         18.856893         43.419601
 Vib (Bot)       0.348493-134       -134.457806       -309.600540
 Vib (Bot)    1  0.510908D+01          0.708343          1.631019
 Vib (Bot)    2  0.412232D+01          0.615142          1.416416
 Vib (Bot)    3  0.281962D+01          0.450191          1.036603
 Vib (Bot)    4  0.211768D+01          0.325861          0.750322
 Vib (Bot)    5  0.136507D+01          0.135156          0.311208
 Vib (Bot)    6  0.101921D+01          0.008263          0.019025
 Vib (Bot)    7  0.900794D+00         -0.045375         -0.104479
 Vib (Bot)    8  0.884127D+00         -0.053485         -0.123155
 Vib (Bot)    9  0.835262D+00         -0.078177         -0.180010
 Vib (Bot)   10  0.821260D+00         -0.085519         -0.196915
 Vib (Bot)   11  0.805185D+00         -0.094104         -0.216683
 Vib (Bot)   12  0.718022D+00         -0.143862         -0.331255
 Vib (Bot)   13  0.561525D+00         -0.250631         -0.577099
 Vib (Bot)   14  0.527548D+00         -0.277738         -0.639515
 Vib (Bot)   15  0.500758D+00         -0.300372         -0.691632
 Vib (Bot)   16  0.439674D+00         -0.356869         -0.821722
 Vib (Bot)   17  0.402063D+00         -0.395706         -0.911146
 Vib (Bot)   18  0.352624D+00         -0.452688         -1.042352
 Vib (Bot)   19  0.314547D+00         -0.502314         -1.156621
 Vib (Bot)   20  0.303949D+00         -0.517200         -1.190897
 Vib (Bot)   21  0.260084D+00         -0.584887         -1.346752
 Vib (Bot)   22  0.252838D+00         -0.597157         -1.375005
 Vib (V=0)       0.408929D+05          4.611648         10.618711
 Vib (V=0)    1  0.563349D+01          0.750777          1.728729
 Vib (V=0)    2  0.465253D+01          0.667689          1.537411
 Vib (V=0)    3  0.336361D+01          0.526806          1.213016
 Vib (V=0)    4  0.267591D+01          0.427471          0.984289
 Vib (V=0)    5  0.195376D+01          0.290872          0.669757
 Vib (V=0)    6  0.163525D+01          0.213583          0.491793
 Vib (V=0)    7  0.153026D+01          0.184764          0.425436
 Vib (V=0)    8  0.151572D+01          0.180618          0.415888
 Vib (V=0)    9  0.147348D+01          0.168344          0.387627
 Vib (V=0)   10  0.146149D+01          0.164797          0.379458
 Vib (V=0)   11  0.144780D+01          0.160708          0.370044
 Vib (V=0)   12  0.137496D+01          0.138290          0.318425
 Vib (V=0)   13  0.125187D+01          0.097560          0.224639
 Vib (V=0)   14  0.122685D+01          0.088791          0.204448
 Vib (V=0)   15  0.120764D+01          0.081939          0.188670
 Vib (V=0)   16  0.116582D+01          0.066631          0.153423
 Vib (V=0)   17  0.114160D+01          0.057515          0.132434
 Vib (V=0)   18  0.111184D+01          0.046041          0.106013
 Vib (V=0)   19  0.109071D+01          0.037710          0.086830
 Vib (V=0)   20  0.108514D+01          0.035484          0.081706
 Vib (V=0)   21  0.106360D+01          0.026778          0.061658
 Vib (V=0)   22  0.106029D+01          0.025426          0.058544
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.107975D+09          8.033324         18.497412
 Rotational      0.162900D+07          6.211921         14.303477
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000003658   -0.000030212    0.000030968
      2        6           0.000045933    0.000052805   -0.000016391
      3        6           0.000039962   -0.000010728   -0.000036515
      4        6          -0.000024666    0.000004330    0.000019804
      5        6          -0.000002967    0.000008917   -0.000008026
      6        6          -0.000024684   -0.000003066    0.000018762
      7        1          -0.000009513   -0.000000794    0.000007121
      8        1          -0.000002990    0.000005735   -0.000000916
      9        1          -0.000003299   -0.000001636   -0.000000715
     10        1           0.000017438   -0.000005908    0.000009608
     11        6          -0.000003130    0.000007243   -0.000000823
     12        1           0.000001796    0.000000935    0.000000154
     13        1          -0.000010275   -0.000000686    0.000003118
     14        1           0.000008383    0.000012014   -0.000004338
     15        1           0.000010641   -0.000008644    0.000006920
     16        8           0.000003050    0.000005576    0.000000306
     17        6          -0.000000850   -0.000004895    0.000004071
     18        6          -0.000002085   -0.000000929   -0.000003366
     19        6          -0.000012641    0.000004187    0.000003525
     20        1          -0.000002560   -0.000003375   -0.000003891
     21        1          -0.000005237    0.000004698   -0.000005056
     22        1           0.000002549    0.000002740    0.000018171
     23        1          -0.000030007   -0.000006092   -0.000015144
     24        1          -0.000004024   -0.000000771    0.000001911
     25        1           0.000000631   -0.000003244    0.000012150
     26        1          -0.000009647   -0.000000111   -0.000014774
     27        1           0.000015622   -0.000017526   -0.000017407
     28        1           0.000000706   -0.000000670   -0.000000158
     29        6           0.000000814   -0.000000621    0.000002331
     30        6          -0.000000489   -0.000001502   -0.000001684
     31        8           0.000000398   -0.000001563   -0.000003978
     32        1          -0.000000299   -0.000000843   -0.000001680
     33        1          -0.000000161   -0.000002112   -0.000002781
     34        1          -0.000002058   -0.000003252   -0.000001275
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000052805 RMS     0.000012848
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.168368D+03 -0.250089D+01 -0.742284D+00
      2  -0.250089D+01  0.140892D+03 -0.433706D+00
      3  -0.742284D+00 -0.433706D+00  0.134918D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.268328D+00  0.667321D+00  0.841057D+01
      2  -0.218207D+00 -0.468122D+01 -0.506284D+02
      3  -0.322654D+01  0.232248D+02  0.367225D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.406283D+01  0.250939D+01 -0.386137D+00
      2   0.750819D+01  0.570385D+01 -0.116977D+02
      3  -0.344536D+01 -0.821324D+01  0.120839D+02
      4  -0.132114D+02 -0.522700D+02 -0.138376D+02
      5   0.721517D+01 -0.128081D+02 -0.106233D+03
      6  -0.555487D+01  0.120705D+01 -0.342393D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   102 ND12= 1 LenFil=    3675:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.291983D+01  0.323648D+01  0.363953D+01  0.237175D+01  0.811972D+00
      2   0.323648D+01  0.895888D+00  0.209548D+00  0.811972D+00 -0.325736D+01
      3   0.363953D+01  0.209548D+00 -0.380899D+01  0.691900D+00  0.106859D+00
                 6             7             8             9            10 
      1   0.691900D+00  0.187964D+01  0.521512D+00 -0.320215D+01 -0.267700D+01
      2   0.106859D+00  0.521512D+00 -0.475255D-01  0.302948D+01  0.436401D+01
      3   0.252319D+01 -0.320215D+01  0.302948D+01  0.581998D+00 -0.135629D+01
                11            12            13            14            15 
      1   0.436401D+01 -0.135629D+01  0.344317D+01  0.507494D-01 -0.152253D+01
      2  -0.116006D+00 -0.148205D+01  0.507494D-01  0.357033D+00 -0.335233D+01
      3  -0.148205D+01  0.213386D+01 -0.152253D+01 -0.335233D+01 -0.326159D+01
                16            17            18            19            20 
      1  -0.771501D+00 -0.174131D+01  0.143440D+01 -0.101616D+01 -0.382692D+01
      2  -0.174131D+01 -0.291946D+01 -0.148498D+01 -0.382692D+01  0.522836D+00
      3   0.143440D+01 -0.148498D+01  0.207800D+01  0.544754D+00 -0.130598D+01
                21            22            23            24            25 
      1   0.544754D+00 -0.425894D+01  0.509035D+00 -0.165894D+01 -0.726185D+00
      2  -0.130598D+01  0.509035D+00  0.380909D+01  0.249880D+01 -0.125557D+01
      3   0.505121D+01 -0.165894D+01  0.249880D+01 -0.242285D+01  0.641570D+01
                26            27            28            29            30 
      1  -0.125557D+01  0.641570D+01  0.777479D+00  0.187749D+01  0.163621D+01
      2   0.714936D+00 -0.378274D+01  0.187749D+01 -0.190821D+00  0.128856D+00
      3  -0.378274D+01 -0.146854D+01  0.163621D+01  0.128856D+00 -0.355231D+01
                31            32            33            34            35 
      1   0.291515D+01 -0.100791D+01 -0.256736D+00 -0.240185D+00  0.426721D+00
      2  -0.100791D+01 -0.520263D+01  0.128432D+01  0.426721D+00  0.390712D+00
      3  -0.256736D+00  0.128432D+01  0.248443D+01 -0.399321D+01  0.184172D+01
                36            37            38            39            40 
      1  -0.399321D+01 -0.571833D+01  0.157700D+01 -0.145893D+01  0.235446D+01
      2   0.184172D+01  0.157700D+01  0.102386D+01 -0.130540D+01 -0.267883D+00
      3  -0.411618D+00 -0.145893D+01 -0.130540D+01  0.359968D+01 -0.115286D+01
                41            42            43            44            45 
      1  -0.267883D+00 -0.115286D+01  0.827110D+00 -0.777581D+00  0.134291D+01
      2  -0.878802D+00 -0.248154D+01 -0.777581D+00 -0.165268D+01 -0.181033D+01
      3  -0.248154D+01 -0.286045D+01  0.134291D+01 -0.181033D+01  0.167145D+01
                46            47            48            49            50 
      1   0.269681D+01 -0.499559D+01  0.336331D+01 -0.694836D+01  0.113112D+01
      2  -0.499559D+01  0.148764D+01  0.563653D+00  0.113112D+01  0.397333D+00
      3   0.336331D+01  0.563653D+00  0.837102D+00  0.484336D+00  0.406783D+01
                51            52            53            54            55 
      1   0.484336D+00  0.403550D+01 -0.305722D+00 -0.954945D-02 -0.578742D+01
      2   0.406783D+01 -0.305722D+00  0.486000D+01  0.194128D+01 -0.282110D+01
      3   0.146380D+01 -0.954945D-02  0.194128D+01 -0.418602D+01 -0.283241D+01
                56            57            58            59            60 
      1  -0.282110D+01 -0.283241D+01 -0.220987D+01 -0.200029D+01 -0.118979D+01
      2  -0.260047D+01 -0.166156D+01 -0.200029D+01 -0.204388D+01 -0.129758D+01
      3  -0.166156D+01 -0.242534D+01 -0.118979D+01 -0.129758D+01 -0.146086D+01
                61            62            63            64            65 
      1  -0.164689D+01 -0.101184D+01 -0.149630D+01  0.193477D+01 -0.127419D+01
      2  -0.101184D+01 -0.920576D+00 -0.133368D+01 -0.127419D+01  0.143413D+01
      3  -0.149630D+01 -0.133368D+01 -0.198664D+01 -0.255502D+01  0.144149D+01
                66            67            68            69            70 
      1  -0.255502D+01 -0.645252D+00  0.635293D+00  0.381249D+00 -0.177967D+01
      2   0.144149D+01  0.635293D+00 -0.109073D+01 -0.143648D+01  0.657667D+00
      3   0.400167D+01  0.381249D+00 -0.143648D+01 -0.163526D+01  0.222225D+01
                71            72            73            74            75 
      1   0.657667D+00  0.222225D+01  0.551934D+01 -0.299155D+01  0.288334D+00
      2  -0.171911D+01 -0.243558D+01 -0.299155D+01  0.357035D+01  0.269685D+00
      3  -0.243558D+01 -0.640905D+01  0.288334D+00  0.269685D+00  0.839547D+00
                76            77            78            79            80 
      1  -0.212531D+01  0.217672D+01  0.215174D+00  0.124629D+00  0.209165D+00
      2   0.217672D+01 -0.327660D+01  0.231431D+00  0.209165D+00  0.246018D+00
      3   0.215174D+00  0.231431D+00 -0.326857D+00  0.601492D+00 -0.598207D+00
                81            82            83            84            85 
      1   0.601492D+00 -0.249448D+01 -0.240611D+01  0.925716D+00 -0.208772D+01
      2  -0.598207D+00 -0.240611D+01 -0.314334D+01  0.101315D+01 -0.220920D+01
      3  -0.136995D+00  0.925716D+00  0.101315D+01 -0.141986D+01  0.668697D+00
                86            87            88            89            90 
      1  -0.220920D+01  0.668697D+00  0.101609D+01  0.111063D+01 -0.102674D+01
      2  -0.519056D+01  0.170592D+01  0.111063D+01  0.238991D+01 -0.131530D+01
      3   0.170592D+01 -0.107620D+01 -0.102674D+01 -0.131530D+01  0.123300D+01
                91            92            93            94            95 
      1  -0.166357D+01  0.621204D+01 -0.246511D+01  0.754569D+01 -0.606767D+00
      2   0.621204D+01 -0.186110D+01  0.105451D+01 -0.606767D+00 -0.396002D+01
      3  -0.246511D+01  0.105451D+01 -0.532175D+01  0.127426D+01 -0.391726D+01
                96            97            98            99           100 
      1   0.127426D+01 -0.171127D+01  0.790212D+00 -0.447034D+01 -0.338468D+01
      2  -0.391726D+01  0.790212D+00 -0.320379D+01  0.111473D+01  0.188727D+01
      3   0.176879D+01 -0.447034D+01  0.111473D+01  0.507796D+01 -0.292660D+01
               101           102           103           104           105 
      1   0.188727D+01 -0.292660D+01  0.207265D+01 -0.147705D+01  0.143332D+01
      2  -0.142734D+01  0.141538D+01 -0.147705D+01  0.195624D+01 -0.238366D+01
      3   0.141538D+01 -0.354877D+01  0.143332D+01 -0.238366D+01  0.267034D+01
               106           107           108           109           110 
      1  -0.214013D+01  0.939842D+00 -0.315025D+01  0.354473D+00  0.896775D+00
      2   0.939842D+00 -0.176349D+01  0.231301D+01  0.896775D+00  0.419655D+00
      3  -0.315025D+01  0.231301D+01 -0.576029D+01 -0.261713D+00 -0.152846D+00
               111           112           113           114           115 
      1  -0.261713D+00  0.150214D+01  0.940449D+00 -0.250010D+00  0.249234D-01
      2  -0.152846D+00  0.940449D+00  0.804304D+01 -0.217046D+01 -0.168477D+00
      3   0.286341D+00 -0.250010D+00 -0.217046D+01  0.172956D+01  0.413685D+00
               116           117           118           119           120 
      1  -0.168477D+00  0.413685D+00  0.348126D+01 -0.491557D+00 -0.234969D+01
      2  -0.109995D+01  0.111321D+01 -0.491557D+00  0.525300D+00  0.127457D+00
      3   0.111321D+01 -0.848321D+00 -0.234969D+01  0.127457D+00  0.292221D+01
               121           122           123           124           125 
      1  -0.178885D+01  0.571062D+00  0.912518D+00 -0.288635D+01  0.567567D-01
      2   0.571062D+00 -0.301437D-01 -0.979323D+00  0.567567D-01 -0.916383D+00
      3   0.912518D+00 -0.979323D+00 -0.176327D+01  0.270843D+01 -0.424539D+00
               126           127           128           129           130 
      1   0.270843D+01  0.211252D+01  0.831237D+00  0.101153D+01  0.255082D+01
      2  -0.424539D+00  0.831237D+00  0.189455D+00  0.332628D+00  0.793398D-01
      3  -0.472977D+01  0.101153D+01  0.332628D+00  0.286423D+00  0.432651D+00
               131           132           133           134           135 
      1   0.793398D-01  0.432651D+00  0.139702D+01  0.429905D+00  0.193605D+00
      2   0.317577D+01  0.179368D+01  0.429905D+00  0.187882D+01  0.168411D+01
      3   0.179368D+01  0.220990D+01  0.193605D+00  0.168411D+01  0.241718D+01
               136           137           138           139           140 
      1  -0.606548D+00 -0.239335D+01  0.578675D+00 -0.568726D+01  0.277155D+00
      2  -0.239335D+01 -0.137211D+01 -0.169117D+00  0.277155D+00 -0.178472D+01
      3   0.578675D+00 -0.169117D+00 -0.200671D+01  0.504341D-01  0.603102D+00
               141           142           143           144           145 
      1   0.504341D-01  0.549380D+00 -0.184136D+00 -0.563808D+00 -0.218193D+00
      2   0.603102D+00 -0.184136D+00  0.154695D+00 -0.632535D+00  0.474194D+01
      3  -0.289837D+00 -0.563808D+00 -0.632535D+00  0.402578D+00 -0.365289D+01
               146           147           148           149           150 
      1   0.474194D+01 -0.365289D+01  0.481166D+01 -0.304243D+00 -0.262995D+00
      2  -0.308776D+00 -0.189785D+00 -0.304243D+00 -0.130054D+01 -0.448370D+01
      3  -0.189785D+00 -0.315082D+00 -0.262995D+00 -0.448370D+01 -0.183448D+01
               151           152           153           154           155 
      1  -0.299133D+01 -0.102691D-01  0.459352D-01  0.123290D-01 -0.413717D+01
      2  -0.102691D-01 -0.337443D+01 -0.177082D+01 -0.413717D+01  0.400728D+00
      3   0.459352D-01 -0.177082D+01  0.286157D+01  0.217081D+01 -0.755011D+00
               156           157           158           159           160 
      1   0.217081D+01 -0.510790D+01  0.121250D+01 -0.899791D+00  0.248036D+01
      2  -0.755011D+00  0.121250D+01  0.449485D+01  0.233989D+01 -0.891466D+00
      3   0.301234D+01 -0.899791D+00  0.233989D+01 -0.854694D+00  0.446808D+01
               161           162           163           164           165 
      1  -0.891466D+00  0.446808D+01 -0.209979D+00 -0.545347D+01  0.163436D+01
      2   0.246028D+01 -0.634700D+00 -0.545347D+01  0.446325D+00 -0.995318D+00
      3  -0.634700D+00 -0.481309D+01  0.163436D+01 -0.995318D+00  0.248343D+01
               166           167           168           169           170 
      1  -0.485816D+01 -0.686457D-01 -0.116292D+01  0.204249D+01 -0.119536D+01
      2  -0.686457D-01  0.241208D+01  0.294870D+01 -0.119536D+01  0.317677D+01
      3  -0.116292D+01  0.294870D+01 -0.300368D+00  0.310777D+01 -0.153393D+01
               171           172           173           174           175 
      1   0.310777D+01  0.458213D+01 -0.242419D+01  0.253504D+01 -0.251779D+01
      2  -0.153393D+01 -0.242419D+01  0.204034D+01 -0.150130D+01  0.173267D+01
      3  -0.560944D+01  0.253504D+01 -0.150130D+01  0.311000D+01 -0.120038D+01
               176           177           178           179           180 
      1   0.173267D+01 -0.120038D+01  0.128454D+01 -0.712070D+00  0.162071D+01
      2  -0.227666D+01  0.208092D+01 -0.712070D+00  0.104403D+01 -0.991520D+00
      3   0.208092D+01 -0.185356D+01  0.162071D+01 -0.991520D+00  0.175897D+01
               181           182           183           184           185 
      1  -0.419542D+01 -0.229769D+01  0.239707D+01 -0.236927D+01 -0.160503D+01
      2  -0.229769D+01 -0.189738D+01  0.143503D+01 -0.160503D+01 -0.216458D+01
      3   0.239707D+01  0.143503D+01 -0.305812D+01  0.115785D+01  0.196668D+01
               186           187           188           189           190 
      1   0.115785D+01  0.153929D+01  0.766452D+00 -0.164569D+01  0.173846D+00
      2   0.196668D+01  0.766452D+00  0.106374D+01 -0.954925D+00  0.192779D+00
      3  -0.193584D+01 -0.164569D+01 -0.954925D+00  0.195303D+01  0.105690D+01
               191           192           193           194           195 
      1   0.192779D+00  0.105690D+01  0.672704D+00  0.759299D-01  0.230099D+00
      2   0.123103D+00  0.144309D+00  0.759299D-01  0.393589D+01  0.282403D+01
      3   0.144309D+00  0.260164D+00  0.230099D+00  0.282403D+01  0.459388D+01
               196           197           198           199           200 
      1   0.784230D+00  0.576125D-01  0.702989D-01 -0.380376D+00 -0.936627D+00
      2   0.576125D-01  0.199066D+01  0.224086D+01 -0.936627D+00 -0.856561D+00
      3   0.702989D-01  0.224086D+01  0.399038D+01 -0.582033D+00 -0.376873D-02
               201           202           203           204           205 
      1  -0.582033D+00 -0.235608D+01 -0.175635D+01  0.795776D-01 -0.108536D+01
      2  -0.376873D-02 -0.175635D+01 -0.613528D+01 -0.112020D+01 -0.128786D+00
      3  -0.301216D+00  0.795776D-01 -0.112020D+01 -0.105871D+01 -0.588953D+00
               206           207           208           209           210 
      1  -0.128786D+00 -0.588953D+00 -0.735610D+01  0.194888D+01 -0.208643D+01
      2  -0.123120D+01 -0.858683D+00  0.194888D+01 -0.117998D+01  0.536531D+00
      3  -0.858683D+00 -0.206944D+00 -0.208643D+01  0.536531D+00 -0.150889D+01
               211           212           213           214           215 
      1   0.423871D+01 -0.191801D+01  0.960015D+00 -0.420651D+01  0.976915D+00
      2  -0.191801D+01  0.123230D+01 -0.902055D+00  0.976915D+00 -0.112769D+01
      3   0.960015D+00 -0.902055D+00  0.100845D+01 -0.249453D+01  0.731029D+00
               216           217           218           219           220 
      1  -0.249453D+01 -0.234759D+01  0.224481D+00  0.169265D+01  0.792050D+00
      2   0.731029D+00  0.224481D+00 -0.345091D+00  0.127612D+00 -0.724940D+00
      3  -0.130589D+01  0.169265D+01  0.127612D+00 -0.188142D+01 -0.754594D-01
               221           222           223           224           225 
      1  -0.724940D+00 -0.754594D-01  0.381724D+01  0.262514D+00 -0.369556D+01
      2  -0.292088D+00  0.640926D+00  0.262514D+00  0.823667D+00 -0.563156D-01
      3   0.640926D+00  0.304041D+00 -0.369556D+01 -0.563156D-01  0.663103D+01
               226           227           228           229           230 
      1   0.426094D+01  0.192529D+01 -0.508605D+00  0.204833D+01  0.183446D+01
      2   0.192529D+01  0.311409D+01  0.396989D+00  0.183446D+01  0.340196D+01
      3  -0.508605D+00  0.396989D+00  0.682059D+00  0.101237D+00 -0.159534D+00
               231           232           233           234           235 
      1   0.101237D+00 -0.620700D+00  0.173148D+00  0.341951D+00 -0.116490D+01
      2  -0.159534D+00  0.173148D+00 -0.636124D+00  0.624810D+00  0.103187D+01
      3   0.554710D+00  0.341951D+00  0.624810D+00  0.348446D+00  0.118946D+01
               236           237           238           239           240 
      1   0.103187D+01  0.118946D+01  0.365329D+00 -0.292041D+00 -0.260696D-01
      2  -0.635646D+00 -0.417795D+00 -0.292041D+00  0.402975D+00  0.814542D+00
      3  -0.417795D+00 -0.159579D+01 -0.260696D-01  0.814542D+00  0.484861D+00
               241           242           243           244           245 
      1   0.162808D+01 -0.877619D+00 -0.227340D+01 -0.494177D+01  0.383242D+01
      2  -0.877619D+00  0.217844D+01  0.232978D+01  0.383242D+01 -0.373467D+01
      3  -0.227340D+01  0.232978D+01  0.756026D+01 -0.119984D+01  0.782844D+00
               246           247           248           249           250 
      1  -0.119984D+01  0.269267D+01 -0.262898D+01  0.705590D+00 -0.236083D+01
      2   0.782844D+00 -0.262898D+01  0.383506D+01 -0.116149D+01  0.177681D+01
      3  -0.131376D+01  0.705590D+00 -0.116149D+01  0.661721D+00 -0.153229D+01
               251           252           253           254           255 
      1   0.177681D+01 -0.153229D+01  0.485077D+01  0.272370D+01 -0.458029D+00
      2  -0.270552D+01  0.135892D+01  0.272370D+01  0.675619D+00 -0.936111D-01
      3   0.135892D+01 -0.778632D+00 -0.458029D+00 -0.936111D-01  0.914812D+00
               256           257           258           259           260 
      1  -0.874532D+00 -0.228532D+01 -0.182772D+00 -0.232423D+00  0.211984D+00
      2  -0.228532D+01 -0.506222D+01  0.297573D+00  0.211984D+00  0.463655D+00
      3  -0.182772D+00  0.297573D+00 -0.439406D+00  0.102771D+01 -0.844627D+00
               261           262           263           264           265 
      1   0.102771D+01 -0.183818D+01 -0.467734D+01  0.382390D+00 -0.625914D+01
      2  -0.844627D+00 -0.467734D+01  0.349754D+00  0.194752D+00 -0.124359D+01
      3   0.438186D+00  0.382390D+00  0.194752D+00  0.432463D+00  0.190247D+00
               266           267           268           269           270 
      1  -0.124359D+01  0.190247D+00  0.717561D+00  0.233943D+00 -0.120047D+01
      2   0.312558D+01  0.427158D+00  0.233943D+00  0.586024D+00  0.473663D+01
      3   0.427158D+00  0.405442D+01 -0.120047D+01  0.473663D+01 -0.110990D+01
               271           272           273           274           275 
      1   0.119526D+01  0.205506D+01 -0.253951D+00  0.866760D+01  0.354633D+01
      2   0.205506D+01  0.127917D+01  0.124148D-01  0.354633D+01  0.102732D+02
      3  -0.253951D+00  0.124148D-01  0.262317D-01  0.147965D+00 -0.475006D+00
               276           277           278           279           280 
      1   0.147965D+00 -0.499631D+00 -0.142530D+00  0.114189D+01  0.102278D+01
      2  -0.475006D+00 -0.142530D+00 -0.621216D+00  0.245670D+01 -0.113188D+00
      3   0.178465D+01  0.114189D+01  0.245670D+01 -0.628701D+00  0.823370D+00
               281           282           283           284           285 
      1  -0.113188D+00  0.823370D+00 -0.161427D+01  0.151381D+01 -0.624969D+00
      2  -0.392540D-01 -0.945486D-01  0.151381D+01 -0.357330D+01  0.190788D+01
      3  -0.945486D-01  0.141956D+00 -0.624969D+00  0.190788D+01 -0.263050D+01
               286           287           288           289           290 
      1   0.278189D+01 -0.124557D+01  0.168652D+01  0.929497D+01  0.185046D+01
      2  -0.124557D+01  0.270783D+01 -0.300808D+01  0.185046D+01  0.139404D+01
      3   0.168652D+01 -0.300808D+01  0.501153D+01 -0.223524D+00 -0.582996D-01
               291           292           293           294           295 
      1  -0.223524D+00  0.456331D+01  0.163594D+01 -0.721678D-01 -0.554699D+00
      2  -0.582996D-01  0.163594D+01  0.129544D+01 -0.116615D+00 -0.503754D-01
      3   0.106907D+01 -0.721678D-01 -0.116615D+00  0.329799D+00  0.124940D+01
               296           297           298           299           300 
      1  -0.503754D-01  0.124940D+01  0.811179D+00 -0.169149D+00 -0.699017D+00
      2  -0.175363D+00 -0.130324D+00 -0.169149D+00 -0.183723D+00 -0.459305D-03
      3  -0.130324D+00 -0.528507D-01 -0.699017D+00 -0.459305D-03 -0.325694D-01
               301           302           303           304           305 
      1  -0.189953D+01  0.166172D+01  0.421262D+00 -0.247629D+01  0.109689D+01
      2   0.166172D+01 -0.462771D+01 -0.210304D+01  0.109689D+01 -0.301567D+01
      3   0.421262D+00 -0.210304D+01 -0.262182D+01  0.125050D+01 -0.291447D+01
               306 
      1   0.125050D+01
      2  -0.291447D+01
      3  -0.357288D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.330385D+01 -0.144398D+01 -0.698896D+01 -0.171554D+01  0.103109D+02
      2   0.243403D+01  0.839707D+01  0.174890D+02  0.606396D+01  0.177323D+01
      3  -0.294083D+00 -0.640255D+01 -0.601578D+01 -0.189945D+01 -0.808111D+01
                 6             7             8             9            10 
      1   0.331349D+01 -0.622944D+01  0.812670D+01 -0.899580D+01 -0.943567D+00
      2  -0.161281D+01  0.823575D+01 -0.371261D+01 -0.974060D+01  0.179744D+01
      3   0.146704D+00 -0.269098D+01 -0.812636D+00  0.990441D+01  0.868140D+01
                11            12            13            14            15 
      1  -0.503167D+01  0.575101D+01 -0.517167D+01 -0.833257D+01 -0.105235D+02
      2  -0.703103D+00  0.259758D+01 -0.209930D+00  0.207437D+01  0.258928D+01
      3  -0.140303D+02  0.129702D+01 -0.836342D+01  0.198896D+00  0.299427D+01
                16            17            18            19            20 
      1   0.394437D+01 -0.291512D+01  0.739957D+01  0.699018D+01  0.290696D+00
      2  -0.183118D+01  0.131766D+01 -0.462560D+00 -0.680986D+01 -0.370853D+01
      3  -0.172336D+00  0.243554D+01 -0.546480D+01 -0.817233D+01 -0.407024D+01
                21            22            23            24            25 
      1   0.500175D+00  0.200065D+01 -0.102915D+02 -0.548460D+01 -0.915184D-01
      2  -0.478509D+01 -0.427959D+01 -0.324486D+01  0.143961D+01 -0.142656D+02
      3  -0.293460D+01  0.220017D+01  0.655098D+01  0.197291D+01 -0.232766D+01
                26            27            28            29            30 
      1   0.117615D+01  0.720522D+01 -0.815192D+01 -0.121122D+00  0.446358D+01
      2   0.358100D+01  0.133370D+02  0.428944D+01  0.380898D+01  0.463714D+01
      3   0.689028D+00 -0.331143D+01  0.295169D+01  0.203978D+01  0.449307D+01
                31            32            33            34            35 
      1  -0.455530D+00  0.104666D+02 -0.829386D+01  0.611232D+01 -0.118624D+01
      2   0.739871D+01 -0.161918D+01 -0.572165D+00 -0.871094D+00 -0.966806D-01
      3   0.855715D+01  0.305068D+01 -0.153126D+01  0.439506D+01 -0.536084D+00
                36            37            38            39            40 
      1  -0.146908D+01  0.493517D+00  0.108481D+01 -0.204466D+01 -0.113510D+01
      2  -0.739179D+01  0.519215D+01 -0.237834D+01  0.101613D+01 -0.431928D+01
      3  -0.415626D+01 -0.329327D+01  0.449697D+01  0.810245D+00  0.694576D+01
                41            42            43            44            45 
      1   0.120893D+01 -0.194561D+01 -0.514460D+01  0.124109D+01 -0.455440D+01
      2  -0.153409D+01 -0.208923D+01 -0.446823D+01 -0.219354D+01  0.210720D+01
      3   0.104421D+01  0.159353D+01 -0.971511D+00 -0.198585D-01  0.122533D+01
                46            47            48            49            50 
      1  -0.281536D+01  0.760479D+00 -0.454343D+00  0.219637D+01  0.417607D+01
      2  -0.239312D+01  0.454174D+01 -0.596724D+00  0.428215D+01 -0.362162D+01
      3  -0.304315D+01  0.148543D+01 -0.208381D+01  0.832857D+01 -0.169485D+01
                51            52            53            54            55 
      1   0.254460D+01  0.337113D+00  0.102905D+02  0.903769D+00  0.263615D+01
      2   0.532066D-01 -0.957073D+01 -0.431380D+00  0.207828D+01 -0.104435D+02
      3   0.180247D+01 -0.229981D+01  0.440416D+01  0.149754D+01  0.698682D+01
                56            57            58            59            60 
      1   0.469129D+01 -0.154405D+01  0.283084D+01  0.239289D+01 -0.123786D+01
      2  -0.328760D+01 -0.301157D-01 -0.379339D+01 -0.268005D+01  0.293726D+00
      3  -0.189347D+01  0.152633D+01  0.232813D+01 -0.818989D+00 -0.216028D-01
                61            62            63            64            65 
      1  -0.291405D+00  0.132374D+01  0.299420D+00 -0.875395D+00 -0.279072D+01
      2  -0.239341D+01 -0.178946D+00  0.599580D+00  0.944882D+01 -0.454130D+01
      3   0.125949D+01 -0.551429D+00  0.102858D+00 -0.612968D+01  0.208120D+01
                66            67            68            69            70 
      1   0.429300D+01 -0.585576D+00 -0.590955D-01 -0.125730D+01  0.237213D+01
      2  -0.945598D+01 -0.244745D+01  0.356280D+01  0.278321D+01 -0.951858D+01
      3   0.587068D+01  0.322328D+01 -0.196157D+01 -0.310927D+01  0.461880D+01
                71            72            73            74            75 
      1   0.300052D+01 -0.482774D+01  0.128252D+01  0.480358D+00  0.372497D+01
      2   0.452009D+01  0.127700D+02  0.423570D+00 -0.147979D+00  0.115043D+01
      3  -0.250679D+01 -0.722315D+01 -0.192979D+02  0.722950D+01 -0.880006D+00
                76            77            78            79            80 
      1  -0.145075D+00  0.118519D+01 -0.211564D+01  0.123404D+01  0.369886D+00
      2  -0.403250D+00  0.156912D+00 -0.111932D+01 -0.185980D+01  0.354401D+00
      3   0.834598D+01 -0.659787D+01 -0.308315D+00  0.497948D-01 -0.634380D+00
                81            82            83            84            85 
      1  -0.435896D+00  0.204809D+01  0.214856D+01 -0.517037D+01  0.191274D+01
      2  -0.255718D+00 -0.183885D+00 -0.530633D+00  0.229476D+01  0.226040D+00
      3  -0.167053D+01  0.662824D+01  0.112575D+01 -0.181304D+01  0.486442D+01
                86            87            88            89            90 
      1   0.385491D+01 -0.475406D+01 -0.227996D+01 -0.924441D+00  0.428434D+01
      2  -0.822862D+00  0.185780D+01 -0.644825D+00  0.103031D+01 -0.120456D+01
      3  -0.112604D-01 -0.689577D+00 -0.270670D+01 -0.114788D+00  0.135562D+01
                91            92            93            94            95 
      1   0.251610D+01 -0.491998D+00  0.193668D+01  0.465427D-01  0.135382D+01
      2   0.381768D+01 -0.289177D+01  0.145595D+02 -0.373757D+01  0.799111D+01
      3   0.158882D+02 -0.364556D+01  0.102098D+01  0.835395D+01 -0.108871D+02
                96            97            98            99           100 
      1  -0.502606D+01  0.174295D+01  0.173100D+01 -0.486420D+01 -0.219299D+01
      2  -0.240185D+01  0.617742D+01 -0.170967D+01 -0.134953D+02 -0.259836D+01
      3  -0.793217D+01  0.127148D+01 -0.681819D+01 -0.431393D+00  0.720785D+00
               101           102           103           104           105 
      1   0.336213D+01  0.113168D+00  0.169630D+01 -0.323021D+01  0.101216D+01
      2   0.114179D+01  0.296717D+01  0.255202D+01  0.124070D+01 -0.257244D+01
      3  -0.318879D+01  0.909513D+00  0.387182D+00  0.287634D+01 -0.309604D+01
               106           107           108           109           110 
      1  -0.561697D+00  0.525543D+01 -0.970049D+00 -0.169343D+01 -0.612078D+00
      2  -0.211738D+01 -0.138846D+01  0.404358D+01 -0.242634D+00  0.134506D+01
      3  -0.580059D+00 -0.325439D+01  0.211754D+01  0.539960D+00  0.419751D+00
               111           112           113           114           115 
      1  -0.334029D+00 -0.114153D+01 -0.130497D+02 -0.145455D+01  0.666013D-01
      2   0.585085D-01  0.303506D+01  0.282426D+01  0.456139D+00 -0.167516D+01
      3  -0.204696D+00  0.585593D+01 -0.165237D+01 -0.273927D+00 -0.452500D+00
               116           117           118           119           120 
      1   0.988586D+00 -0.100116D+01  0.403541D+01 -0.229330D+01 -0.351210D+01
      2  -0.139304D+00  0.122812D+01  0.769569D+01 -0.851410D+00 -0.925673D+00
      3  -0.463080D+00  0.374468D+00  0.427754D+01 -0.251974D+01 -0.353098D+01
               121           122           123           124           125 
      1  -0.181055D+01  0.189645D+01  0.292045D+01 -0.274290D+01  0.452611D+01
      2  -0.462324D+01  0.100796D+01  0.223759D+00 -0.639728D+01 -0.292801D+00
      3  -0.849993D+00  0.167336D+01  0.138743D+01 -0.354598D+01  0.175787D+01
               126           127           128           129           130 
      1   0.593068D+01  0.872053D+00 -0.565521D-01 -0.816732D+00  0.313811D+00
      2   0.303186D+01 -0.317143D-01  0.120230D+00  0.545107D+00 -0.158065D+01
      3   0.381790D+01  0.116970D+01  0.692245D+00  0.441417D+00  0.666668D+01
               131           132           133           134           135 
      1   0.639064D+00 -0.245992D+01  0.904431D+00  0.119732D+01 -0.189634D+01
      2   0.198150D+01  0.212882D+01 -0.367180D+01  0.102437D+01  0.262685D+01
      3  -0.236837D+01 -0.119420D+01  0.213988D+01 -0.123195D+01 -0.289373D+00
               136           137           138           139           140 
      1  -0.146058D+00  0.147140D+00 -0.342010D+00  0.560156D-01 -0.161958D+01
      2  -0.873643D+00 -0.945183D+00  0.792810D+01  0.225126D+01  0.655912D+00
      3   0.162361D+02 -0.941031D+01  0.178784D+01  0.132268D+02  0.464967D+01
               141           142           143           144           145 
      1  -0.350584D+01  0.614168D+00  0.130219D+01  0.325520D+00  0.103020D+02
      2  -0.107927D+01 -0.842839D+01 -0.265539D+01  0.596390D+00  0.223814D+01
      3  -0.802985D+00 -0.143563D+00  0.443766D+00  0.198102D+01  0.309518D+01
               146           147           148           149           150 
      1  -0.369867D+00 -0.504938D-01 -0.736195D+00 -0.817246D+01 -0.194044D+02
      2  -0.136488D+02  0.159798D+02 -0.127223D+02  0.292940D+01  0.788266D+00
      3  -0.651141D+01  0.394917D+01 -0.264171D+01 -0.183855D+00 -0.197876D+01
               151           152           153           154           155 
      1  -0.577379D+00 -0.105211D+02 -0.348549D+01 -0.119791D+01  0.588510D-01
      2   0.662733D+01  0.142311D+01 -0.202104D+01 -0.855058D+01  0.413674D+01
      3   0.233772D+01 -0.210560D+01 -0.112000D+01 -0.162542D+02  0.141767D+01
               156           157           158           159           160 
      1   0.560888D+00  0.807066D+00  0.315701D+01 -0.788279D+00  0.145259D+01
      2  -0.111530D+02  0.512458D+01 -0.102012D+02  0.291711D+01 -0.228775D+02
      3  -0.302448D+01  0.980949D+01  0.208675D+02  0.947790D+01 -0.385813D+01
               161           162           163           164           165 
      1   0.302232D+01 -0.102767D+01 -0.878437D+01  0.228915D+01 -0.640332D+01
      2   0.193607D+01  0.188465D+02 -0.314584D+01  0.754703D+01 -0.476275D+01
      3   0.988940D+01 -0.241689D+01 -0.145403D+02 -0.168764D+02  0.986433D+00
               166           167           168           169           170 
      1   0.230652D+01 -0.668267D+01  0.138023D+01 -0.893088D+01  0.102192D+02
      2   0.675287D+01 -0.612142D+01  0.144589D+01 -0.108613D+02  0.477285D+01
      3  -0.115963D+02  0.357265D+01  0.411719D+01  0.196480D+01  0.433876D+01
               171           172           173           174           175 
      1   0.148159D+02 -0.500908D+01  0.550321D+01 -0.210400D+00  0.380102D+01
      2   0.119070D+02 -0.159803D+02  0.743131D+01 -0.617772D+01  0.856553D+01
      3   0.279353D+01 -0.725193D+01  0.159356D+01 -0.292396D+01  0.496128D+01
               176           177           178           179           180 
      1  -0.461229D+01  0.195432D+01 -0.900970D+00  0.341559D+01 -0.921200D+00
      2  -0.588515D+01  0.341441D+01 -0.611462D+01  0.307738D+01 -0.466897D+01
      3  -0.199390D+01  0.221745D+01 -0.177615D+01  0.604280D+00 -0.213281D+01
               181           182           183           184           185 
      1  -0.446800D+01 -0.541643D+01  0.236944D-01 -0.351117D+01 -0.419433D+01
      2   0.121491D+02  0.500976D+01 -0.144018D+01  0.657631D+01  0.279476D+01
      3   0.353292D+01 -0.123053D+01 -0.627621D+00  0.233763D+01 -0.106148D+01
               186           187           188           189           190 
      1   0.173348D+01  0.978942D+00  0.355101D+01 -0.110823D+01  0.128747D+01
      2  -0.762593D+00 -0.426730D+01 -0.161078D+01  0.221617D+01 -0.864670D+00
      3   0.473803D+00 -0.852299D+00  0.755702D+00  0.676773D+00  0.203909D+00
               191           192           193           194           195 
      1  -0.811594D-01  0.535733D+00 -0.151816D+00  0.163989D+02  0.894769D+01
      2  -0.673091D+00 -0.184204D+01 -0.382555D+01 -0.140556D+01 -0.298163D+01
      3  -0.486288D+00 -0.599808D+00  0.178075D+01  0.184071D+01  0.155504D+01
               196           197           198           199           200 
      1   0.200168D+00  0.963526D+01  0.860156D+01 -0.727255D+00  0.109777D-01
      2  -0.379750D+01 -0.149579D+01 -0.280910D+01  0.210972D+01  0.348284D+00
      3   0.256118D+00  0.125518D+01  0.121666D+01 -0.389187D+01 -0.259016D+01
               201           202           203           204           205 
      1  -0.363352D+00 -0.179937D-01 -0.305258D+01 -0.379347D+01  0.399281D-01
      2   0.139012D+01 -0.213848D+00  0.533471D+01  0.543312D+01  0.672339D+00
      3   0.509085D+00 -0.938927D+00 -0.266952D+02 -0.568523D+01  0.798811D+00
               206           207           208           209           210 
      1  -0.419008D+00 -0.962839D+00  0.102228D+00  0.573447D+00  0.347885D+00
      2   0.379821D+01  0.173349D+01  0.939935D+01 -0.293035D+01  0.906188D+01
      3  -0.595360D+01 -0.346781D+01  0.833595D+01 -0.781008D+01  0.299251D+01
               211           212           213           214           215 
      1  -0.319875D+00 -0.505829D+00 -0.107029D+01 -0.929775D-01  0.112341D+01
      2  -0.432494D+01  0.400194D+01 -0.535967D+01  0.855709D+01 -0.303787D+01
      3  -0.562376D+01  0.572150D+01 -0.354216D+01  0.384239D+01 -0.596246D+01
               216           217           218           219           220 
      1   0.410737D+00  0.479385D+00 -0.831263D+00 -0.791889D+00 -0.939003D-01
      2   0.658488D+01 -0.533446D+01 -0.443097D+00  0.779937D+01 -0.114661D+00
      3   0.309859D+01  0.117463D+01 -0.243624D+01 -0.152646D+00 -0.139394D+01
               221           222           223           224           225 
      1   0.199125D-01 -0.605391D+00 -0.551521D+00  0.315489D+01  0.179567D+01
      2  -0.195476D+01 -0.900005D+00  0.893536D+01  0.132689D+00 -0.265836D+02
      3  -0.116389D+01  0.183684D+01  0.514911D+00  0.472712D+01  0.228784D-01
               226           227           228           229           230 
      1   0.366660D+01  0.145581D+01 -0.346431D+01  0.170353D+01  0.271485D+01
      2  -0.337589D+01 -0.220048D+01  0.657938D+00 -0.191738D+01 -0.119534D+01
      3   0.201517D+02  0.967758D+01 -0.151300D+01  0.117118D+02  0.106796D+02
               231           232           233           234           235 
      1  -0.293788D+01 -0.169551D+01 -0.791561D+00  0.137272D+00 -0.193833D+01
      2  -0.918957D-01 -0.110942D+01 -0.111710D+01 -0.878022D+00 -0.147608D+01
      3  -0.386852D+00 -0.216056D+01 -0.952753D+00  0.246063D+01  0.153473D+00
               236           237           238           239           240 
      1   0.628651D-01  0.359934D+01  0.378131D+00 -0.178813D+01 -0.137082D+01
      2   0.433869D+00  0.359198D+01 -0.346357D+00 -0.180983D+01 -0.599715D+00
      3  -0.330564D+00  0.132592D+01  0.123688D+01  0.133228D+00  0.126146D+01
               241           242           243           244           245 
      1   0.446436D+01  0.105720D+00 -0.183443D+02  0.567629D+01 -0.382771D+01
      2   0.690110D+00 -0.430251D+01 -0.163171D+02  0.512327D+01 -0.404609D+01
      3   0.263842D+01  0.409114D+01  0.513946D+00 -0.355710D+01 -0.247523D+01
               246           247           248           249           250 
      1   0.541203D+01 -0.366855D+01  0.489613D+01 -0.430363D+01  0.447966D+01
      2   0.570785D+01 -0.319400D+01  0.425535D+01 -0.303112D+01  0.364374D+01
      3  -0.131917D+01  0.290174D+01  0.327922D+01 -0.585911D+00 -0.240651D+01
               251           252           253           254           255 
      1  -0.334309D+01  0.336368D+01 -0.324953D+00 -0.240698D+00 -0.141312D+01
      2  -0.390747D+01  0.334134D+01 -0.302652D+01 -0.988984D+00 -0.113967D+02
      3  -0.326652D+01 -0.259971D+00 -0.147020D+02  0.299618D+01  0.527906D+00
               256           257           258           259           260 
      1   0.534017D+00  0.151060D+01  0.720513D+01  0.727985D+00  0.992834D+01
      2  -0.232684D+01  0.202098D+01 -0.833978D+01 -0.201676D+02 -0.942231D+00
      3   0.121784D+01  0.226440D+02 -0.168973D+01  0.237649D+01 -0.248281D+01
               261           262           263           264           265 
      1  -0.180181D+01 -0.165189D+00  0.427502D+00  0.170347D+01  0.534917D-01
      2   0.187569D+01  0.176356D+01  0.160766D+01  0.611138D+01  0.210563D+01
      3   0.289235D+01  0.227292D+02 -0.162895D+01 -0.120610D+01  0.150569D+02
               266           267           268           269           270 
      1   0.904850D+00  0.236953D+01 -0.372578D+01  0.781549D+01 -0.678471D+00
      2   0.197110D+01  0.179530D+02 -0.929878D+01  0.231669D+02 -0.519848D+01
      3  -0.133631D+02 -0.203083D+01 -0.147374D+01 -0.295360D+01 -0.212240D+02
               271           272           273           274           275 
      1   0.588392D+00  0.406722D+00  0.954996D+00  0.104574D+00 -0.834499D-02
      2  -0.101239D+01 -0.548546D-01  0.660033D+01  0.634376D+00 -0.240861D+01
      3  -0.763381D+01 -0.775830D+01 -0.395553D+00  0.305394D+01 -0.376582D+02
               276           277           278           279           280 
      1  -0.975654D+01 -0.240667D+00  0.259406D+00  0.114148D+01  0.443753D+00
      2   0.113253D+02  0.500002D+01  0.783252D+01 -0.316393D+01  0.333901D+01
      3   0.198292D+01 -0.992244D+00  0.260144D+01 -0.791190D+01  0.865137D-02
               281           282           283           284           285 
      1  -0.136277D+00 -0.694112D-01 -0.708861D+00  0.996403D+00 -0.362534D+01
      2  -0.355779D+00  0.700275D+00 -0.231153D+01  0.870134D+01 -0.117625D+02
      3  -0.536216D+00 -0.446086D+00 -0.374295D+01  0.143811D+02 -0.793293D+01
               286           287           288           289           290 
      1   0.125926D+01 -0.924614D+00  0.498572D+01 -0.116236D+00  0.143607D-02
      2   0.528362D+01 -0.135049D+02  0.222263D+02 -0.203365D+01 -0.553914D+00
      3   0.224157D+01 -0.113021D+02  0.125659D+02 -0.146547D+02 -0.101550D+02
               291           292           293           294           295 
      1   0.300611D+00  0.618061D-01 -0.464490D-01 -0.844496D+00  0.736405D+00
      2   0.694628D+01 -0.749497D+00 -0.699104D+00  0.200681D+01  0.407423D+01
      3   0.527552D+00 -0.824150D+01 -0.735827D+01  0.579842D+00  0.555855D+00
               296           297           298           299           300 
      1   0.433130D+00 -0.162092D-01 -0.566280D+00 -0.106169D-01 -0.247683D+00
      2  -0.718142D+00 -0.419477D+00 -0.321463D+01 -0.208369D+00  0.236940D+00
      3   0.943284D+00  0.110958D+00  0.501066D+00  0.278437D+00  0.911146D+00
               301           302           303           304           305 
      1   0.936225D+00 -0.221755D+01 -0.428325D+01  0.113887D+01 -0.171559D+01
      2   0.187274D+01 -0.100748D+02 -0.118335D+02  0.412638D+01 -0.132803D+02
      3  -0.387633D+01  0.191360D+02  0.902909D+01 -0.185085D+01  0.129863D+02
               306 
      1  -0.445504D+01
      2  -0.161772D+02
      3   0.123513D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.179260D+01 -0.117170D+02 -0.203805D+02 -0.780220D+01 -0.108552D+02
      2   0.803456D+01  0.449851D+01 -0.434294D+01  0.361706D+01  0.114995D+02
      3  -0.624196D+01  0.721846D+01  0.247235D+02  0.418514D+01 -0.644259D+00
      4  -0.172367D+02 -0.103226D+02 -0.138672D+02 -0.962399D+01  0.546802D+01
      5  -0.182091D+02 -0.160968D+02 -0.104433D+02 -0.122115D+02 -0.153318D+01
      6  -0.232698D+02 -0.773850D+01  0.524852D+01 -0.536349D+01  0.748795D+01
                 6             7             8             9            10 
      1   0.162018D+01 -0.137997D+02  0.254408D+01  0.149714D+02  0.102542D+02
      2   0.767961D+01 -0.382670D+01  0.779637D+01 -0.648719D+01 -0.219947D+02
      3  -0.929979D+01  0.176264D+02 -0.103405D+02 -0.848425D+01  0.117406D+02
      4  -0.110244D+01 -0.749107D+01  0.581687D-01 -0.732300D+00  0.622707D+00
      5  -0.606488D+01 -0.276629D+01 -0.575283D+01  0.114260D+02  0.437431D+01
      6  -0.562211D+01  0.427068D+01 -0.771383D+01 -0.951130D+01  0.588238D+01
                11            12            13            14            15 
      1  -0.156700D+01  0.427787D-01 -0.269764D+01 -0.349262D+00 -0.479375D+01
      2  -0.215025D+01  0.932993D+01 -0.101855D+01 -0.332928D+01  0.125628D+02
      3   0.371724D+01 -0.937270D+01  0.371618D+01  0.367855D+01 -0.776908D+01
      4  -0.177635D+02  0.678192D+01 -0.133087D+02 -0.238829D+01  0.106032D+02
      5   0.569082D+01 -0.432981D+01  0.469368D+01  0.829296D+01  0.451133D+01
      6   0.843177D+01 -0.670212D+01  0.660687D+01  0.105719D+02  0.171672D+01
                16            17            18            19            20 
      1  -0.255669D+01 -0.659675D+01 -0.411584D+01 -0.485799D+00  0.602869D+01
      2   0.909128D+01  0.153719D+02  0.100576D+02  0.176054D+00 -0.604543D+01
      3  -0.653459D+01 -0.877519D+01 -0.594173D+01  0.309745D+00  0.167486D-01
      4   0.355936D+01  0.107063D+02 -0.403662D+01  0.104878D+02 -0.435247D+01
      5  -0.456902D+01  0.105046D+00 -0.553823D+01 -0.172446D+01  0.119476D+02
      6  -0.543254D+01  0.680024D+00 -0.379145D+01  0.122427D+02  0.881565D+00
                21            22            23            24            25 
      1   0.626810D+01  0.516976D+01  0.501351D+01 -0.109349D+01  0.125696D+02
      2   0.115515D+02 -0.638874D+01  0.593049D+00 -0.891005D+01  0.515272D+01
      3  -0.178196D+02  0.121898D+01 -0.560655D+01  0.100035D+02 -0.177224D+02
      4   0.850890D+01 -0.415735D+01 -0.741368D+01 -0.111319D+02  0.698999D+01
      5  -0.163954D+02  0.108095D+02 -0.117393D+02  0.123242D+02 -0.217328D+02
      6   0.105876D+02 -0.352627D+01 -0.877203D+01 -0.887826D+01  0.882768D+01
                26            27            28            29            30 
      1  -0.160618D+01 -0.182510D+02 -0.352594D+00  0.161493D+01 -0.942061D+01
      2  -0.672228D+01  0.110605D+02  0.838324D+01 -0.312086D+01 -0.720622D+01
      3   0.832846D+01  0.719052D+01 -0.803064D+01  0.150593D+01  0.166268D+02
      4  -0.503039D+01  0.151845D+02  0.163751D+01  0.131127D+01 -0.644697D+00
      5   0.145750D+02 -0.779769D+01 -0.771544D+00 -0.444644D+01 -0.756142D+01
      6  -0.486900D+01  0.968171D+01 -0.778818D+01  0.414021D-03 -0.285975D+01
                31            32            33            34            35 
      1   0.126652D+01  0.140494D+02  0.230150D+01 -0.128815D+02  0.290117D+01
      2  -0.445732D+01 -0.210074D+02  0.113192D+02 -0.484778D+01  0.464773D+01
      3   0.319079D+01  0.695798D+01 -0.136207D+02  0.177293D+02 -0.754890D+01
      4   0.264684D+01  0.467658D+00  0.181797D+01 -0.222017D+01 -0.374162D+00
      5  -0.522664D+01  0.680198D+01  0.230735D+01 -0.221248D+01 -0.232579D+00
      6   0.319070D+01  0.202025D+02 -0.135804D+01 -0.474752D+01  0.133667D+01
                36            37            38            39            40 
      1  -0.235158D+01 -0.381239D+02  0.343551D+01  0.964842D+00  0.101464D+02
      2   0.413429D+01  0.192373D+02 -0.349399D+01 -0.621875D-01 -0.350695D+01
      3  -0.178271D+01  0.188866D+02  0.584811D-01 -0.902654D+00 -0.663947D+01
      4  -0.348077D+01 -0.169454D+01 -0.115578D+02  0.190575D+01 -0.406547D+01
      5   0.958187D+01  0.852819D+00  0.257482D+01 -0.980067D+01  0.345609D+01
      6  -0.759507D+01  0.480506D+01 -0.116600D+01 -0.116211D+01 -0.210365D+01
                41            42            43            44            45 
      1   0.312533D+01 -0.164885D+01  0.450993D+01 -0.295336D+01  0.877681D+01
      2   0.669723D-01 -0.276714D+01 -0.800591D-02  0.248106D+01 -0.289649D+01
      3  -0.319230D+01  0.441599D+01 -0.450192D+01  0.472301D+00 -0.588032D+01
      4   0.611302D+00 -0.205589D+01  0.185080D+01  0.337452D+00 -0.530022D+00
      5  -0.258871D+01 -0.298022D+01 -0.373703D+01 -0.188078D+01 -0.314649D+01
      6  -0.561380D+01 -0.865006D+01  0.100665D+01 -0.605900D+01 -0.661346D+00
                46            47            48            49            50 
      1  -0.183511D+02  0.807087D+01 -0.337731D+01  0.151563D+02 -0.637415D+01
      2   0.304791D+01  0.486059D+00  0.168426D+00 -0.666366D+01 -0.544481D+01
      3   0.153032D+02 -0.855693D+01  0.320889D+01 -0.849266D+01  0.118190D+02
      4   0.132039D+02 -0.279895D+01 -0.177532D+01 -0.455038D+00  0.624242D+00
      5  -0.379763D+01 -0.520809D+01  0.377589D+01 -0.427173D+01 -0.523982D+01
      6  -0.899102D+01  0.801838D+00  0.147377D+01  0.822395D+00 -0.686597D+01
                51            52            53            54            55 
      1   0.589740D+01 -0.860174D+01  0.942148D+01 -0.115197D+01  0.204545D+02
      2  -0.103227D+02  0.186770D+01 -0.145625D+02  0.773717D-01 -0.124029D+02
      3   0.442529D+01  0.673404D+01  0.514099D+01  0.107460D+01 -0.805162D+01
      4  -0.748997D+01  0.214400D+01 -0.110862D+02  0.123231D+01  0.262002D+02
      5   0.551763D+00  0.255549D+01 -0.161594D+01  0.753368D+01  0.295038D+02
      6   0.592033D+01  0.549477D+00  0.247946D+01  0.434317D+01  0.179692D+02
                56            57            58            59            60 
      1   0.400816D+01  0.481109D+01  0.383030D+01  0.108013D+01 -0.117783D+01
      2   0.357830D+00 -0.642600D+01  0.123212D+01  0.386738D+01 -0.396243D+00
      3  -0.436599D+01  0.161491D+01 -0.506243D+01 -0.494751D+01  0.157408D+01
      4   0.185330D+02  0.145832D+02  0.161368D+02  0.140645D+02  0.861586D+01
      5   0.158716D+02  0.216006D+02  0.115590D+02  0.109784D+02  0.864184D+01
      6   0.147312D+02  0.128924D+02  0.108429D+02  0.116366D+02  0.107331D+02
                61            62            63            64            65 
      1   0.277588D+01 -0.111424D+01 -0.826555D+00 -0.795773D+01  0.924878D+01
      2  -0.445926D+01 -0.230890D+01 -0.533162D+01 -0.242032D+01 -0.365898D+01
      3   0.168339D+01  0.342314D+01  0.615817D+01  0.103780D+02 -0.558980D+01
      4   0.798368D+01  0.596795D+01  0.816929D+01 -0.277400D+01  0.276900D+01
      5   0.146280D+02  0.808307D+01  0.127209D+02 -0.512876D+01  0.362882D+01
      6   0.778332D+01  0.895640D+01  0.112819D+02  0.103367D+02 -0.889920D+01
                66            67            68            69            70 
      1   0.174170D+02  0.417032D+01 -0.837673D+01 -0.820753D+01  0.109106D+02
      2   0.396384D+01 -0.261349D+01  0.326487D+01  0.198908D+01  0.221986D+01
      3  -0.213809D+02 -0.155684D+01  0.511186D+01  0.621845D+01 -0.131305D+02
      4   0.503562D+01  0.301931D+01 -0.112297D+01 -0.213426D+00  0.411407D+01
      5   0.737676D+01  0.269661D+01 -0.127076D+01  0.235505D+00  0.664561D+01
      6  -0.148195D+02 -0.439021D+01  0.847211D+01  0.138167D+02 -0.732887D+01
                71            72            73            74            75 
      1  -0.111468D+02 -0.288304D+02 -0.350247D+01  0.110951D+02  0.110724D+01
      2   0.122274D+00 -0.973025D+01  0.144366D+02 -0.195664D+02 -0.872499D+00
      3   0.110245D+02  0.385607D+02 -0.109341D+02  0.847126D+01 -0.234742D+00
      4   0.314616D+00 -0.159772D+01 -0.154676D+02  0.114951D+02 -0.120465D+01
      5   0.863517D+00 -0.186222D+01 -0.228993D+01  0.696450D+00  0.123698D+01
      6   0.151777D+02  0.250625D+02 -0.376630D+00 -0.191923D+01 -0.443343D+01
                76            77            78            79            80 
      1   0.582339D+01 -0.102133D+02 -0.110564D+00  0.596222D+00  0.134734D+00
      2  -0.123554D+02  0.207139D+02 -0.175860D+01 -0.129635D+01 -0.116945D+01
      3   0.653200D+01 -0.105006D+02  0.186917D+01  0.700128D+00  0.103471D+01
      4   0.103952D+02 -0.835261D+01 -0.627108D+00 -0.279323D-02 -0.139739D+01
      5   0.460552D+00 -0.155615D+01 -0.435191D+00  0.280630D+01 -0.640326D+00
      6  -0.142507D+01  0.366646D+00  0.373262D+01 -0.338250D+01  0.554300D+01
                81            82            83            84            85 
      1  -0.214740D+01  0.351688D+01 -0.417228D+01 -0.369599D+00 -0.217375D+01
      2   0.135310D+01  0.857875D+01  0.162686D+02 -0.393778D+01  0.105552D+02
      3   0.794303D+00 -0.120956D+02 -0.120963D+02  0.430738D+01 -0.838150D+01
      4  -0.139706D+01  0.148711D+02  0.195262D+02 -0.652410D+01  0.150451D+02
      5   0.487236D+00 -0.456242D+01 -0.408688D+01  0.524128D+01 -0.271803D+01
      6   0.134753D+01 -0.469325D+01 -0.562960D+01  0.696980D+01 -0.390644D+01
                86            87            88            89            90 
      1  -0.119247D+02  0.348419D+01  0.453410D+00  0.595174D+01 -0.317632D+01
      2   0.308496D+02 -0.882818D+01 -0.379896D+01 -0.123640D+02  0.443077D+01
      3  -0.189249D+02  0.534399D+01  0.334555D+01  0.641221D+01 -0.125445D+01
      4   0.218273D+02 -0.710050D+01 -0.630809D+01 -0.886845D+01  0.703734D+01
      5  -0.558132D+01  0.373834D+01  0.454406D+01  0.454285D+01 -0.471735D+01
      6  -0.940850D+01  0.733665D+01  0.544082D+01  0.980770D+01 -0.746521D+01
                91            92            93            94            95 
      1  -0.396610D+01 -0.296426D+02  0.861544D+01 -0.344304D+02  0.972297D+01
      2   0.951169D+01  0.136128D+02 -0.297484D+01  0.167984D+02 -0.963341D+01
      3  -0.554559D+01  0.160298D+02 -0.564061D+01  0.176320D+02 -0.895668D-01
      4  -0.300178D+02  0.942319D+01 -0.258138D+01  0.623903D+01  0.137758D+02
      5   0.518139D+01 -0.670638D+00  0.172283D+02 -0.218407D+01  0.107888D+02
      6   0.363915D+01 -0.461663D+00 -0.279055D+01 -0.310367D+00 -0.251200D+01
                96            97            98            99           100 
      1  -0.234684D+01  0.803340D+01  0.660471D+00  0.192052D+02  0.100194D+02
      2  -0.235061D+01 -0.198982D+01 -0.592025D+01 -0.755279D+01 -0.126153D+02
      3   0.469745D+01 -0.604358D+01  0.525978D+01 -0.116524D+02  0.259585D+01
      4   0.137177D+02 -0.394272D+01  0.137901D+02 -0.704743D+01 -0.112594D+02
      5  -0.676510D+01  0.181514D+02 -0.450838D+01 -0.181285D+02  0.215681D+02
      6  -0.419351D+00 -0.331984D+01  0.115123D+01  0.392347D+01 -0.896033D+01
               101           102           103           104           105 
      1  -0.319673D+01  0.241414D+01 -0.206059D+01 -0.339535D+01  0.394966D+01
      2   0.400322D+01 -0.119636D+02  0.327041D+01 -0.987376D+00  0.404550D+01
      3  -0.806485D+00  0.954949D+01 -0.120981D+01  0.438273D+01 -0.799516D+01
      4   0.958156D+01 -0.865079D+01  0.992680D+01 -0.970810D+01  0.103659D+02
      5  -0.107437D+02  0.248913D+02 -0.108735D+02  0.121242D+02 -0.134538D+02
      6   0.671294D+01 -0.887201D+01  0.767513D+01 -0.112503D+02  0.153735D+02
               106           107           108           109           110 
      1  -0.118068D+01  0.356576D+01 -0.815463D+01  0.516187D-01 -0.941319D+00
      2  -0.991159D+01  0.480964D+01 -0.177604D+02  0.261223D+01  0.238881D+01
      3   0.110923D+02 -0.837540D+01  0.259150D+02 -0.266384D+01 -0.144749D+01
      4  -0.642152D+01  0.731165D+01 -0.107486D+02  0.624869D+00  0.574681D+01
      5   0.213226D+02 -0.116291D+02  0.294887D+02 -0.927664D+00 -0.217320D+01
      6  -0.791007D+01  0.120846D+02 -0.154898D+02 -0.263398D+01 -0.130088D+01
               111           112           113           114           115 
      1   0.106196D+01 -0.984917D+00 -0.263800D+02  0.101941D+02  0.279833D+01
      2   0.289295D+00  0.251177D+01  0.368891D+02 -0.816943D+01  0.479265D-01
      3  -0.135126D+01 -0.152685D+01 -0.105091D+02 -0.202464D+01 -0.284626D+01
      4  -0.120586D+01  0.563856D+01  0.180107D+01 -0.132024D+01 -0.148024D+00
      5   0.322974D+01 -0.359020D+01 -0.459719D+01  0.126515D+01  0.285205D+01
      6   0.115373D+01 -0.429146D+01 -0.284975D+02  0.134284D+02  0.189240D+01
               116           117           118           119           120 
      1   0.555555D+01 -0.539015D+01  0.202210D+01 -0.116788D+01  0.467080D+01
      2  -0.238469D+01  0.304018D+01 -0.102127D+02  0.161861D+01  0.796398D+01
      3  -0.317086D+01  0.234997D+01  0.819058D+01 -0.450735D+00 -0.126348D+02
      4   0.823076D-01  0.505470D+00  0.159515D+01  0.155753D+01 -0.157825D+01
      5   0.928240D+00 -0.199096D+01 -0.125475D+02  0.115357D+01  0.136161D+02
      6   0.994212D+01 -0.630235D+01  0.216753D-01 -0.258284D+01  0.216483D+01
               121           122           123           124           125 
      1   0.119099D+00 -0.383926D+01 -0.365845D+01  0.373309D+01  0.472170D-01
      2   0.289891D+01  0.113949D+01 -0.501127D+01  0.792617D+01 -0.284561D+01
      3  -0.301801D+01  0.269977D+01  0.866973D+01 -0.116593D+02  0.279839D+01
      4   0.124964D+01 -0.650373D+00 -0.117854D+01 -0.171250D+01 -0.131195D+01
      5   0.433922D+01 -0.300144D+01 -0.406269D+01  0.123062D+02 -0.331452D+00
      6  -0.241400D+01 -0.422430D-01  0.452551D+01  0.221051D+01  0.473541D+01
               126           127           128           129           130 
      1  -0.134585D+02  0.874834D+01  0.563770D+00  0.122656D+01  0.449636D+01
      2  -0.136585D+02 -0.324832D+01  0.203985D+00 -0.464781D+00 -0.213532D+01
      3   0.271170D+02 -0.550002D+01 -0.767755D+00 -0.761783D+00 -0.236104D+01
      4   0.187750D+01  0.159354D+01  0.324277D+01  0.198548D+01  0.436128D+01
      5  -0.141791D+02  0.221837D+01  0.153589D+01  0.306539D+01  0.217517D+01
      6  -0.202275D+01  0.268103D+01  0.112251D+01  0.175048D+01  0.127046D+01
               131           132           133           134           135 
      1  -0.897483D+01 -0.499755D+01  0.191558D+01 -0.427339D+01 -0.833700D+01
      2   0.104332D+02  0.460850D+01 -0.179608D+01  0.231204D+01  0.143832D+01
      3  -0.145842D+01  0.389052D+00 -0.119504D+00  0.196135D+01  0.689868D+01
      4   0.294034D+01  0.255229D+01  0.173322D+01  0.217539D+01  0.237632D+01
      5   0.255575D+01  0.274016D+01  0.378280D+01  0.276650D+01  0.439018D+01
      6   0.932745D+01  0.855690D+01  0.125876D+01  0.763186D+01  0.869953D+01
               136           137           138           139           140 
      1   0.245691D+02 -0.974232D+01  0.477377D+01 -0.243133D+02 -0.333927D+01
      2  -0.133607D+02  0.277290D+01 -0.245819D+01  0.133776D+02  0.477232D+01
      3  -0.112084D+02  0.696942D+01 -0.231558D+01  0.109358D+02 -0.143305D+01
      4  -0.906118D+01  0.195028D+02 -0.166300D+01  0.116148D+02 -0.293337D+01
      5   0.346540D+01 -0.131920D+01  0.161868D+02 -0.208195D+01  0.128670D+01
      6  -0.972325D+00 -0.631037D+00  0.366202D+00 -0.749994D-01  0.313275D+00
               141           142           143           144           145 
      1   0.428287D+00  0.309840D+01  0.974230D+00 -0.506546D+01  0.124254D+02
      2   0.427146D+00 -0.753962D+00 -0.374046D+00  0.122373D+01 -0.171159D+01
      3  -0.855434D+00 -0.234444D+01 -0.600184D+00  0.384172D+01 -0.107138D+02
      4   0.135817D+01 -0.105830D+01 -0.558519D+00 -0.278544D+01 -0.748481D+01
      5   0.117695D+01  0.910690D+00 -0.154678D+01  0.491807D+00  0.495004D+01
      6   0.525721D+01  0.624513D+00  0.319350D+01 -0.933405D+00  0.266295D+02
               146           147           148           149           150 
      1  -0.681966D+01  0.536531D+01 -0.650763D+01  0.104592D+02  0.682734D+01
      2   0.328600D+01 -0.350408D+01  0.346132D+01  0.954449D+01  0.850573D+01
      3   0.353366D+01 -0.186123D+01  0.304631D+01 -0.200037D+02 -0.153331D+02
      4  -0.920266D+01  0.107927D+02 -0.912546D+01  0.163289D+01  0.622940D+01
      5   0.220154D+02 -0.176705D+02  0.217419D+02  0.479540D+01  0.217034D+01
      6  -0.172858D+01 -0.531274D-01 -0.146648D+01 -0.362278D+01 -0.220996D+02
               151           152           153           154           155 
      1   0.424874D+01  0.303757D+01 -0.687698D+01 -0.605236D+00  0.318291D+02
      2  -0.172952D+01  0.926150D+01 -0.513926D+01  0.103667D+01 -0.163425D+02
      3  -0.251922D+01 -0.122991D+02  0.120162D+02 -0.431432D+00 -0.154866D+02
      4   0.618573D+01  0.488814D+01  0.132223D+01  0.320946D+02 -0.394442D+01
      5  -0.142577D+02  0.204462D+01 -0.406573D+01 -0.174470D+02  0.476788D+01
      6  -0.208228D+00 -0.161680D+02 -0.119344D+02 -0.101108D+01 -0.551660D+00
               156           157           158           159           160 
      1  -0.189444D+02  0.379656D+02 -0.878816D+01  0.804336D+01 -0.243328D+02
      2   0.618673D+01 -0.204334D+02  0.133098D+01 -0.424976D+01  0.580322D+01
      3   0.127576D+02 -0.175322D+02  0.745718D+01 -0.379360D+01  0.185296D+02
      4   0.505071D+01 -0.935403D+01 -0.275667D+02 -0.151364D+02  0.783798D+01
      5  -0.219399D+02  0.811998D+01 -0.143216D+02  0.632581D+01 -0.342775D+02
      6  -0.566154D+00 -0.897911D+00  0.125501D+01  0.136567D+01 -0.722155D-01
               161           162           163           164           165 
      1   0.733813D+01 -0.253310D+02  0.994351D+01  0.275011D+02 -0.806957D+01
      2  -0.366780D+01  0.208921D+02 -0.236214D+02 -0.132700D+02 -0.427042D+01
      3  -0.367033D+01  0.443885D+01  0.136779D+02 -0.142310D+02  0.123400D+02
      4  -0.158828D+02  0.470655D+01  0.239414D+02 -0.214249D+02  0.101919D+02
      5   0.496175D+01  0.340631D+02 -0.881073D+01  0.243990D+01 -0.946000D+01
      6   0.682146D+00  0.200849D+01  0.415539D+01 -0.732773D+01  0.862569D+01
               166           167           168           169           170 
      1   0.251249D+02 -0.972111D+01 -0.268546D+00 -0.115502D+02  0.161871D+01
      2  -0.123378D+02  0.856751D+01  0.105079D+02 -0.499590D+01  0.140735D+02
      3  -0.127871D+02  0.115360D+01 -0.102393D+02  0.165461D+02 -0.156922D+02
      4  -0.182357D+02 -0.700133D+01 -0.149256D+02  0.129345D+02 -0.183592D+02
      5   0.224135D+01 -0.123057D+02  0.211852D+01 -0.136589D+02  0.833928D+01
      6  -0.587196D+01  0.131389D+02 -0.415913D+00  0.116974D+02 -0.492770D+01
               171           172           173           174           175 
      1  -0.384169D+01 -0.589099D+01  0.813140D+01 -0.125154D+02  0.643813D+01
      2   0.116457D+02 -0.814763D+00 -0.399922D+01 -0.344188D+01 -0.369647D+01
      3  -0.780405D+01  0.670575D+01 -0.413217D+01  0.159573D+02 -0.274165D+01
      4   0.138778D+02 -0.707051D+01  0.562331D+01 -0.475486D+01  0.620719D+01
      5   0.263417D+02  0.183484D+02 -0.103236D+02  0.125011D+02 -0.110658D+02
      6  -0.203078D+02 -0.147756D+02  0.129150D+02 -0.118282D+02  0.103057D+02
               176           177           178           179           180 
      1  -0.109303D+02  0.885295D+01 -0.576407D+01  0.493492D+01 -0.912484D+01
      2   0.584824D+01 -0.103576D+01 -0.253687D+01 -0.130534D+00 -0.336546D+01
      3   0.508203D+01 -0.781719D+01  0.830095D+01 -0.480438D+01  0.124903D+02
      4  -0.393695D+01  0.127519D+01 -0.262569D+01  0.131208D+01 -0.231490D+01
      5   0.552753D+01 -0.511355D+01  0.850254D+01 -0.383012D+01  0.759365D+01
      6  -0.138331D+02  0.148188D+02 -0.658168D+01  0.917049D+01 -0.856042D+01
               181           182           183           184           185 
      1   0.720962D+01 -0.667210D+00  0.465887D+01  0.534572D+00 -0.538023D+01
      2  -0.735792D+01  0.124169D+00  0.740826D+01 -0.281958D-01  0.279568D+01
      3   0.148298D+00  0.543041D+00 -0.120671D+02 -0.506377D+00  0.258455D+01
      4   0.137995D+02  0.111119D+02 -0.874169D+01  0.106341D+02  0.986885D+01
      5  -0.240869D+02 -0.138638D+02  0.198020D+02 -0.136291D+02 -0.105694D+02
      6  -0.137111D+02 -0.118326D+02  0.112784D+02 -0.936402D+01 -0.130021D+02
               186           187           188           189           190 
      1   0.557987D+01  0.189174D+01  0.281477D+01 -0.430389D+01 -0.214487D+01
      2   0.779148D+00  0.475773D+01  0.109323D+01 -0.593670D+01 -0.162947D+01
      3  -0.635902D+01 -0.664947D+01 -0.390801D+01  0.102406D+02  0.377435D+01
      4  -0.700164D+01 -0.458012D+01 -0.407379D+01  0.546677D+01 -0.136674D+00
      5   0.951793D+01  0.135636D+02  0.660737D+01 -0.124239D+02 -0.831428D+00
      6   0.139924D+02  0.674402D+01  0.914753D+01 -0.817207D+01  0.473712D+00
               191           192           193           194           195 
      1  -0.527906D+00 -0.236205D+01 -0.102592D+01 -0.924844D+01 -0.150762D+02
      2  -0.421478D+00  0.319518D+00 -0.362522D+00 -0.407326D+01 -0.118770D+02
      3   0.949384D+00  0.204253D+01  0.138844D+01  0.133217D+02  0.269532D+02
      4   0.300986D+01 -0.802036D-01  0.273676D+01 -0.575542D+01 -0.331708D+01
      5   0.131847D+01  0.691974D+01  0.379638D+01 -0.292299D+01 -0.485439D+01
      6   0.924128D+00  0.598659D+00  0.721491D+00  0.209605D+02  0.163620D+02
               196           197           198           199           200 
      1  -0.140776D+01 -0.722860D+01 -0.143396D+02  0.374883D+01  0.513261D+01
      2   0.242160D+00 -0.746459D+01 -0.133275D+02  0.119662D+00 -0.193572D+00
      3   0.116560D+01  0.146932D+02  0.276671D+02 -0.386849D+01 -0.493904D+01
      4  -0.331966D-02 -0.258441D+01 -0.303512D+01  0.628404D+01  0.106660D+02
      5   0.589535D+01 -0.267949D+01 -0.465094D+01  0.351818D+01  0.690708D+00
      6   0.278349D+00  0.133015D+02  0.124605D+02  0.740585D+00  0.656068D-01
               201           202           203           204           205 
      1   0.410378D+01  0.156392D+02  0.441160D+01 -0.164740D+01  0.846774D+01
      2  -0.158634D+01 -0.516501D+01  0.903285D+01  0.217413D+01 -0.332575D+01
      3  -0.251745D+01 -0.104742D+02 -0.134445D+02 -0.526735D+00 -0.514200D+01
      4   0.124874D+01  0.180524D+02  0.429324D+02  0.744783D+01  0.209178D+01
      5   0.335343D+01 -0.410126D+00  0.715577D+01  0.728951D+01  0.605248D+01
      6   0.522910D+00 -0.567878D+00 -0.414625D+00  0.357060D+01  0.474454D+00
               206           207           208           209           210 
      1  -0.265859D+00  0.186425D+01  0.651074D+02 -0.161562D+02  0.178093D+02
      2   0.107633D+01 -0.161043D+01 -0.323458D+02  0.737844D+01 -0.924882D+01
      3  -0.810476D+00 -0.253815D+00 -0.327617D+02  0.877773D+01 -0.856049D+01
      4   0.853032D+01  0.515993D+01 -0.171687D+02  0.123673D+02 -0.489608D+01
      5   0.529779D+01  0.745934D+00  0.190007D+02 -0.501537D+01  0.151432D+02
      6   0.325103D+01  0.133927D+01 -0.429276D+00  0.350533D+00 -0.269642D+00
               211           212           213           214           215 
      1  -0.323948D+02  0.126575D+02 -0.709024D+01  0.334561D+02 -0.703734D+01
      2   0.150902D+02 -0.352778D+01  0.351589D+01 -0.173916D+02  0.353784D+01
      3   0.173046D+02 -0.912975D+01  0.357435D+01 -0.160645D+02  0.349950D+01
      4   0.183722D+02 -0.115852D+02  0.735004D+01 -0.857024D+01  0.963887D+01
      5  -0.866832D+01  0.713382D+01 -0.891033D+01  0.229965D+02 -0.645082D+01
      6   0.133238D+01 -0.125998D+01  0.177438D+01 -0.127219D+01  0.195264D+01
               216           217           218           219           220 
      1   0.161981D+02  0.181226D+02 -0.193796D+01 -0.111295D+02 -0.550444D+01
      2  -0.112439D+02 -0.127292D+02  0.999274D+00  0.873406D+01  0.336483D+01
      3  -0.495421D+01 -0.539342D+01  0.938683D+00  0.239544D+01  0.213961D+01
      4  -0.598125D+01 -0.138407D+01  0.393210D+01 -0.145952D+01  0.679542D+01
      5   0.124930D+02 -0.150097D+02 -0.966986D+00  0.193867D+02  0.377412D+00
      6  -0.168858D+01 -0.687033D+00 -0.102011D+01  0.910458D+00 -0.218239D+01
               221           222           223           224           225 
      1   0.257863D+01 -0.158164D+00 -0.235838D+02 -0.187030D+01  0.137527D+02
      2  -0.158480D+01 -0.187941D+00  0.187943D+02  0.104951D+01 -0.224264D+02
      3  -0.993837D+00  0.346105D+00  0.478948D+01  0.820790D+00  0.867371D+01
      4   0.201022D+01 -0.506397D+01 -0.251974D+01 -0.709531D+01  0.148319D+00
      5  -0.458411D+01 -0.238230D+01  0.330895D+02 -0.374455D-01 -0.495144D+02
      6   0.193612D+00  0.421446D+01  0.975027D+00  0.428717D+01 -0.277910D+01
               226           227           228           229           230 
      1  -0.154365D+02 -0.187399D+02  0.123009D+00 -0.137812D+02 -0.180775D+02
      2   0.154878D+02  0.222963D+02  0.742294D+00  0.148971D+02  0.253180D+02
      3  -0.512917D-01 -0.355645D+01 -0.865303D+00 -0.111590D+01 -0.724043D+01
      4   0.895840D+01  0.124741D+01 -0.266470D+01  0.660345D+01 -0.374642D+00
      5   0.529791D+01  0.108522D+01 -0.451663D+00  0.219146D+01  0.266208D+01
      6  -0.320870D+00  0.416898D+01  0.403134D+01  0.183838D+01  0.192158D+01
               231           232           233           234           235 
      1  -0.236951D+00  0.243867D+01  0.592732D+00 -0.359377D+01  0.381447D+01
      2  -0.103013D+01 -0.123582D+00 -0.345567D+01  0.178118D+01 -0.215085D+01
      3   0.126708D+01 -0.231508D+01  0.286294D+01  0.181259D+01 -0.166362D+01
      4   0.777231D+00 -0.243767D+01  0.328233D+01 -0.450964D+00 -0.763900D+01
      5  -0.869350D+00  0.134529D+01 -0.159520D+01 -0.179905D+01 -0.815384D+01
      6   0.400081D+01  0.182427D+01  0.423767D+01  0.151965D+01  0.429617D+01
               236           237           238           239           240 
      1  -0.304688D+01 -0.382016D+01 -0.587242D+00 -0.245978D+01 -0.338179D+01
      2   0.492119D+00  0.505646D+01 -0.846196D+00  0.171415D+01  0.352479D+01
      3   0.255476D+01 -0.123630D+01  0.143344D+01  0.745627D+00 -0.143002D+00
      4   0.766074D+01  0.520543D+01  0.439728D+01 -0.279356D+01 -0.373411D+01
      5   0.345677D+01  0.123535D+02  0.376287D+00 -0.357002D+01 -0.246717D+01
      6  -0.214530D+01 -0.696198D+01 -0.145629D+01  0.407513D+01  0.811399D+01
               241           242           243           244           245 
      1  -0.391479D+01 -0.559485D+01 -0.899496D+01  0.246804D+02 -0.125383D+02
      2   0.602583D+01  0.441353D+01 -0.121244D+02  0.121204D+01 -0.859694D+01
      3  -0.211104D+01  0.118133D+01  0.211194D+02 -0.258924D+02  0.211352D+02
      4   0.853816D+01 -0.106135D+02 -0.140559D+02 -0.364751D+02  0.333907D+02
      5   0.160959D+02 -0.113977D+02 -0.350725D+02  0.556457D+01 -0.329497D+01
      6  -0.992849D+01  0.150223D+02  0.303991D+02 -0.521835D+01  0.369025D+01
               246           247           248           249           250 
      1   0.602147D+01 -0.858274D+01  0.267942D+01 -0.756031D+00  0.102790D+02
      2   0.794667D+00 -0.734668D+01  0.171368D+02 -0.439369D+01  0.112408D+01
      3  -0.681614D+01  0.159294D+02 -0.198162D+02  0.514972D+01 -0.114030D+02
      4  -0.843509D+01  0.251823D+02 -0.286376D+02  0.809714D+01 -0.168544D+02
      5   0.810538D+01 -0.243807D+01  0.507568D+01 -0.384569D+01  0.933624D+01
      6  -0.732361D+01  0.361105D+01 -0.504586D+01  0.551536D+01 -0.786255D+01
               251           252           253           254           255 
      1  -0.252130D+01  0.348973D+01 -0.993899D+01  0.169973D+02 -0.247005D+01
      2  -0.895340D+01  0.182178D+00  0.449516D+01 -0.408625D+01  0.171732D+01
      3   0.114747D+02 -0.367191D+01  0.544382D+01 -0.129111D+02  0.752728D+00
      4   0.183351D+02 -0.109402D+02  0.228728D+02 -0.205548D+02 -0.410469D+00
      5  -0.757574D+01  0.518412D+01 -0.267974D+01 -0.272507D+00 -0.191259D+02
      6   0.815497D+01 -0.515677D+01  0.626946D+00 -0.418904D+00  0.287342D+01
               256           257           258           259           260 
      1   0.156122D+01 -0.324171D+01 -0.224441D+01 -0.114207D+01 -0.607881D+00
      2  -0.332250D+01 -0.992545D+01  0.228487D+00  0.306999D+00  0.184596D+01
      3   0.176129D+01  0.131672D+02  0.201593D+01  0.835074D+00 -0.123808D+01
      4  -0.309207D+02 -0.436433D+02  0.234783D+01  0.242111D+01  0.393044D+01
      5   0.116182D+01  0.195512D+01 -0.126481D+02  0.760571D+01 -0.548185D+01
      6  -0.995028D+00  0.573289D+00 -0.889261D+01  0.791561D+00  0.463674D+01
               261           262           263           264           265 
      1  -0.983474D+00 -0.231046D+02 -0.390673D+02  0.381801D+01 -0.585666D+02
      2  -0.668784D+01  0.164990D+02  0.176701D+02 -0.242621D+01  0.278982D+02
      3   0.767131D+01  0.660560D+01  0.213972D+02 -0.139180D+01  0.306684D+02
      4  -0.516430D+01 -0.438611D+02  0.950789D+01  0.124777D+01 -0.551759D+01
      5   0.380845D+01  0.394858D+01  0.111681D+01  0.692684D+01  0.132088D+01
      6   0.202865D+01 -0.117026D+01 -0.536977D+00 -0.253401D+01 -0.651065D-01
               266           267           268           269           270 
      1  -0.341947D+01  0.218669D+01  0.615524D+01  0.204209D+01  0.457798D+01
      2   0.303547D+01 -0.367846D+01 -0.205918D+01 -0.424536D+01 -0.548528D+01
      3   0.383997D+00  0.149176D+01 -0.409606D+01  0.220327D+01  0.907297D+00
      4   0.204615D+02  0.358089D+01  0.163889D+01  0.455632D+01  0.375388D+02
      5   0.401438D+01  0.331558D+02 -0.942314D+01  0.399054D+02 -0.914422D+01
      6  -0.202371D+01 -0.110292D+02  0.620496D+01 -0.153997D+02  0.310403D+01
               271           272           273           274           275 
      1   0.163216D+02  0.104204D+02 -0.166390D+01  0.415524D+02 -0.101979D+02
      2  -0.531761D+01 -0.337601D+01  0.544382D+00 -0.129266D+02  0.325981D+02
      3  -0.110040D+02 -0.704439D+01  0.111951D+01 -0.286257D+02 -0.224002D+02
      4   0.167741D+02  0.225706D+02 -0.574948D+00  0.380737D+02  0.755357D+02
      5  -0.111929D+01 -0.559472D+00  0.106337D+02 -0.784766D-01 -0.292611D+01
      6  -0.406202D+00  0.208862D+00  0.277548D+00  0.110210D+01 -0.236357D+00
               276           277           278           279           280 
      1   0.204037D+01 -0.326309D+01  0.985012D+00  0.800119D-01  0.824440D+01
      2  -0.110686D+01  0.163425D+01 -0.147083D+01  0.100817D+01 -0.488869D+01
      3  -0.933512D+00  0.162884D+01  0.485817D+00 -0.108818D+01 -0.335571D+01
      4  -0.300968D+01 -0.150468D+01 -0.424322D+01  0.172787D+02 -0.194586D+01
      5   0.174096D+02  0.133033D+02  0.161804D+02 -0.448137D+01  0.678842D+01
      6   0.149282D+02  0.370437D+01  0.111574D+02 -0.206912D+01 -0.290724D+01
               281           282           283           284           285 
      1  -0.246861D+01  0.745209D+01 -0.870405D+01  0.770488D+00  0.180294D+01
      2   0.134761D+01 -0.342180D+01  0.319366D+01  0.443145D+01 -0.223761D+01
      3   0.112101D+01 -0.403029D+01  0.551039D+01 -0.520194D+01  0.434677D+00
      4   0.247536D+01 -0.319125D+01  0.151540D+02 -0.287698D+02  0.154170D+02
      5  -0.261259D+01  0.438359D+01 -0.664654D+01  0.158960D+02 -0.223956D+02
      6   0.116019D+00 -0.155463D+00  0.324636D+01 -0.933086D+01  0.109496D+02
               286           287           288           289           290 
      1   0.189441D+02 -0.726061D+00 -0.173292D+01  0.999545D+02  0.199699D+02
      2  -0.108658D+02 -0.325091D+00 -0.508090D+01 -0.531374D+02 -0.117141D+02
      3  -0.807832D+01  0.105115D+01  0.681383D+01 -0.468171D+02 -0.825577D+01
      4  -0.132671D+02  0.221799D+02 -0.239931D+02  0.146620D+02  0.146077D+02
      5   0.183932D+02 -0.255891D+02  0.419451D+02 -0.154508D+01 -0.364946D+00
      6  -0.582906D+01  0.129768D+02 -0.148891D+02  0.870250D+00  0.391845D+00
               291           292           293           294           295 
      1  -0.243418D+01  0.436921D+02  0.154676D+02 -0.879590D+00 -0.542615D+01
      2   0.125815D+01 -0.232866D+02 -0.734947D+01  0.681516D+00  0.284197D+01
      3   0.117602D+01 -0.204055D+02 -0.811814D+01  0.198074D+00  0.258417D+01
      4  -0.400798D+00  0.176459D+02  0.130904D+02 -0.994502D+00 -0.395290D+00
      5   0.130637D+02 -0.527158D+00 -0.904958D+00  0.404421D+01  0.145345D+02
      6  -0.741642D+00  0.440117D+00  0.421034D+00  0.191986D+01 -0.180391D+00
               296           297           298           299           300 
      1  -0.792561D+00  0.973726D+01  0.693517D+01 -0.326523D+01 -0.675809D+01
      2   0.832856D+00 -0.594834D+01 -0.315420D+01  0.189798D+01  0.307461D+01
      3  -0.402948D-01 -0.378891D+01 -0.378097D+01  0.136725D+01  0.368348D+01
      4  -0.151000D+01 -0.510420D+00 -0.204736D+01  0.195381D+01  0.233307D+01
      5  -0.157319D+00 -0.730292D+00 -0.568057D+01  0.159471D+01  0.207459D+01
      6   0.279237D+01 -0.193871D+00  0.295192D+01  0.377316D+00  0.347448D+00
               301           302           303           304           305 
      1  -0.109018D+02 -0.457058D+00 -0.314552D+01 -0.173758D+02 -0.495803D+00
      2   0.339016D+01  0.927565D+01  0.518376D+01  0.837534D+01  0.392870D+01
      3   0.751167D+01 -0.881859D+01 -0.203824D+01  0.900047D+01 -0.343290D+01
      4   0.170038D+02 -0.369792D+02 -0.168931D+02  0.120401D+02 -0.244082D+02
      5   0.510376D+01 -0.178318D+02 -0.222759D+02  0.137837D+02 -0.247689D+02
      6  -0.307530D+01  0.103805D+02  0.103593D+02 -0.500397D+01  0.125385D+02
               306 
      1  -0.221875D+01
      2  -0.476740D+00
      3   0.269549D+01
      4  -0.230796D+02
      5  -0.297948D+02
      6   0.118907D+02
 Leave Link  716 at Fri Jul  9 22:20:51 2021, MaxMem= 17179869184 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.168368D+03 -0.250089D+01 -0.742284D+00
      2  -0.250089D+01  0.140892D+03 -0.433706D+00
      3  -0.742284D+00 -0.433706D+00  0.134918D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.268328D+00  0.667321D+00  0.841057D+01
      2  -0.218207D+00 -0.468122D+01 -0.506284D+02
      3  -0.322654D+01  0.232248D+02  0.367225D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.406283D+01  0.250939D+01 -0.386137D+00
      2   0.750819D+01  0.570385D+01 -0.116977D+02
      3  -0.344536D+01 -0.821324D+01  0.120839D+02
      4  -0.132114D+02 -0.522700D+02 -0.138376D+02
      5   0.721517D+01 -0.128081D+02 -0.106233D+03
      6  -0.555487D+01  0.120705D+01 -0.342393D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   102 ND12= 1 LenFil=    3675:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.291983D+01  0.323648D+01  0.363953D+01  0.237175D+01  0.811972D+00
      2   0.323648D+01  0.895888D+00  0.209548D+00  0.811972D+00 -0.325736D+01
      3   0.363953D+01  0.209548D+00 -0.380899D+01  0.691900D+00  0.106859D+00
                 6             7             8             9            10 
      1   0.691900D+00  0.187964D+01  0.521512D+00 -0.320215D+01 -0.267700D+01
      2   0.106859D+00  0.521512D+00 -0.475255D-01  0.302948D+01  0.436401D+01
      3   0.252319D+01 -0.320215D+01  0.302948D+01  0.581998D+00 -0.135629D+01
                11            12            13            14            15 
      1   0.436401D+01 -0.135629D+01  0.344317D+01  0.507494D-01 -0.152253D+01
      2  -0.116006D+00 -0.148205D+01  0.507494D-01  0.357033D+00 -0.335233D+01
      3  -0.148205D+01  0.213386D+01 -0.152253D+01 -0.335233D+01 -0.326159D+01
                16            17            18            19            20 
      1  -0.771501D+00 -0.174131D+01  0.143440D+01 -0.101616D+01 -0.382692D+01
      2  -0.174131D+01 -0.291946D+01 -0.148498D+01 -0.382692D+01  0.522836D+00
      3   0.143440D+01 -0.148498D+01  0.207800D+01  0.544754D+00 -0.130598D+01
                21            22            23            24            25 
      1   0.544754D+00 -0.425894D+01  0.509035D+00 -0.165894D+01 -0.726185D+00
      2  -0.130598D+01  0.509035D+00  0.380909D+01  0.249880D+01 -0.125557D+01
      3   0.505121D+01 -0.165894D+01  0.249880D+01 -0.242285D+01  0.641570D+01
                26            27            28            29            30 
      1  -0.125557D+01  0.641570D+01  0.777479D+00  0.187749D+01  0.163621D+01
      2   0.714936D+00 -0.378274D+01  0.187749D+01 -0.190821D+00  0.128856D+00
      3  -0.378274D+01 -0.146854D+01  0.163621D+01  0.128856D+00 -0.355231D+01
                31            32            33            34            35 
      1   0.291515D+01 -0.100791D+01 -0.256736D+00 -0.240185D+00  0.426721D+00
      2  -0.100791D+01 -0.520263D+01  0.128432D+01  0.426721D+00  0.390712D+00
      3  -0.256736D+00  0.128432D+01  0.248443D+01 -0.399321D+01  0.184172D+01
                36            37            38            39            40 
      1  -0.399321D+01 -0.571833D+01  0.157700D+01 -0.145893D+01  0.235446D+01
      2   0.184172D+01  0.157700D+01  0.102386D+01 -0.130540D+01 -0.267883D+00
      3  -0.411618D+00 -0.145893D+01 -0.130540D+01  0.359968D+01 -0.115286D+01
                41            42            43            44            45 
      1  -0.267883D+00 -0.115286D+01  0.827110D+00 -0.777581D+00  0.134291D+01
      2  -0.878802D+00 -0.248154D+01 -0.777581D+00 -0.165268D+01 -0.181033D+01
      3  -0.248154D+01 -0.286045D+01  0.134291D+01 -0.181033D+01  0.167145D+01
                46            47            48            49            50 
      1   0.269681D+01 -0.499559D+01  0.336331D+01 -0.694836D+01  0.113112D+01
      2  -0.499559D+01  0.148764D+01  0.563653D+00  0.113112D+01  0.397333D+00
      3   0.336331D+01  0.563653D+00  0.837102D+00  0.484336D+00  0.406783D+01
                51            52            53            54            55 
      1   0.484336D+00  0.403550D+01 -0.305722D+00 -0.954945D-02 -0.578742D+01
      2   0.406783D+01 -0.305722D+00  0.486000D+01  0.194128D+01 -0.282110D+01
      3   0.146380D+01 -0.954945D-02  0.194128D+01 -0.418602D+01 -0.283241D+01
                56            57            58            59            60 
      1  -0.282110D+01 -0.283241D+01 -0.220987D+01 -0.200029D+01 -0.118979D+01
      2  -0.260047D+01 -0.166156D+01 -0.200029D+01 -0.204388D+01 -0.129758D+01
      3  -0.166156D+01 -0.242534D+01 -0.118979D+01 -0.129758D+01 -0.146086D+01
                61            62            63            64            65 
      1  -0.164689D+01 -0.101184D+01 -0.149630D+01  0.193477D+01 -0.127419D+01
      2  -0.101184D+01 -0.920576D+00 -0.133368D+01 -0.127419D+01  0.143413D+01
      3  -0.149630D+01 -0.133368D+01 -0.198664D+01 -0.255502D+01  0.144149D+01
                66            67            68            69            70 
      1  -0.255502D+01 -0.645252D+00  0.635293D+00  0.381249D+00 -0.177967D+01
      2   0.144149D+01  0.635293D+00 -0.109073D+01 -0.143648D+01  0.657667D+00
      3   0.400167D+01  0.381249D+00 -0.143648D+01 -0.163526D+01  0.222225D+01
                71            72            73            74            75 
      1   0.657667D+00  0.222225D+01  0.551934D+01 -0.299155D+01  0.288334D+00
      2  -0.171911D+01 -0.243558D+01 -0.299155D+01  0.357035D+01  0.269685D+00
      3  -0.243558D+01 -0.640905D+01  0.288334D+00  0.269685D+00  0.839547D+00
                76            77            78            79            80 
      1  -0.212531D+01  0.217672D+01  0.215174D+00  0.124629D+00  0.209165D+00
      2   0.217672D+01 -0.327660D+01  0.231431D+00  0.209165D+00  0.246018D+00
      3   0.215174D+00  0.231431D+00 -0.326857D+00  0.601492D+00 -0.598207D+00
                81            82            83            84            85 
      1   0.601492D+00 -0.249448D+01 -0.240611D+01  0.925716D+00 -0.208772D+01
      2  -0.598207D+00 -0.240611D+01 -0.314334D+01  0.101315D+01 -0.220920D+01
      3  -0.136995D+00  0.925716D+00  0.101315D+01 -0.141986D+01  0.668697D+00
                86            87            88            89            90 
      1  -0.220920D+01  0.668697D+00  0.101609D+01  0.111063D+01 -0.102674D+01
      2  -0.519056D+01  0.170592D+01  0.111063D+01  0.238991D+01 -0.131530D+01
      3   0.170592D+01 -0.107620D+01 -0.102674D+01 -0.131530D+01  0.123300D+01
                91            92            93            94            95 
      1  -0.166357D+01  0.621204D+01 -0.246511D+01  0.754569D+01 -0.606767D+00
      2   0.621204D+01 -0.186110D+01  0.105451D+01 -0.606767D+00 -0.396002D+01
      3  -0.246511D+01  0.105451D+01 -0.532175D+01  0.127426D+01 -0.391726D+01
                96            97            98            99           100 
      1   0.127426D+01 -0.171127D+01  0.790212D+00 -0.447034D+01 -0.338468D+01
      2  -0.391726D+01  0.790212D+00 -0.320379D+01  0.111473D+01  0.188727D+01
      3   0.176879D+01 -0.447034D+01  0.111473D+01  0.507796D+01 -0.292660D+01
               101           102           103           104           105 
      1   0.188727D+01 -0.292660D+01  0.207265D+01 -0.147705D+01  0.143332D+01
      2  -0.142734D+01  0.141538D+01 -0.147705D+01  0.195624D+01 -0.238366D+01
      3   0.141538D+01 -0.354877D+01  0.143332D+01 -0.238366D+01  0.267034D+01
               106           107           108           109           110 
      1  -0.214013D+01  0.939842D+00 -0.315025D+01  0.354473D+00  0.896775D+00
      2   0.939842D+00 -0.176349D+01  0.231301D+01  0.896775D+00  0.419655D+00
      3  -0.315025D+01  0.231301D+01 -0.576029D+01 -0.261713D+00 -0.152846D+00
               111           112           113           114           115 
      1  -0.261713D+00  0.150214D+01  0.940449D+00 -0.250010D+00  0.249234D-01
      2  -0.152846D+00  0.940449D+00  0.804304D+01 -0.217046D+01 -0.168477D+00
      3   0.286341D+00 -0.250010D+00 -0.217046D+01  0.172956D+01  0.413685D+00
               116           117           118           119           120 
      1  -0.168477D+00  0.413685D+00  0.348126D+01 -0.491557D+00 -0.234969D+01
      2  -0.109995D+01  0.111321D+01 -0.491557D+00  0.525300D+00  0.127457D+00
      3   0.111321D+01 -0.848321D+00 -0.234969D+01  0.127457D+00  0.292221D+01
               121           122           123           124           125 
      1  -0.178885D+01  0.571062D+00  0.912518D+00 -0.288635D+01  0.567567D-01
      2   0.571062D+00 -0.301437D-01 -0.979323D+00  0.567567D-01 -0.916383D+00
      3   0.912518D+00 -0.979323D+00 -0.176327D+01  0.270843D+01 -0.424539D+00
               126           127           128           129           130 
      1   0.270843D+01  0.211252D+01  0.831237D+00  0.101153D+01  0.255082D+01
      2  -0.424539D+00  0.831237D+00  0.189455D+00  0.332628D+00  0.793398D-01
      3  -0.472977D+01  0.101153D+01  0.332628D+00  0.286423D+00  0.432651D+00
               131           132           133           134           135 
      1   0.793398D-01  0.432651D+00  0.139702D+01  0.429905D+00  0.193605D+00
      2   0.317577D+01  0.179368D+01  0.429905D+00  0.187882D+01  0.168411D+01
      3   0.179368D+01  0.220990D+01  0.193605D+00  0.168411D+01  0.241718D+01
               136           137           138           139           140 
      1  -0.606548D+00 -0.239335D+01  0.578675D+00 -0.568726D+01  0.277155D+00
      2  -0.239335D+01 -0.137211D+01 -0.169117D+00  0.277155D+00 -0.178472D+01
      3   0.578675D+00 -0.169117D+00 -0.200671D+01  0.504341D-01  0.603102D+00
               141           142           143           144           145 
      1   0.504341D-01  0.549380D+00 -0.184136D+00 -0.563808D+00 -0.218193D+00
      2   0.603102D+00 -0.184136D+00  0.154695D+00 -0.632535D+00  0.474194D+01
      3  -0.289837D+00 -0.563808D+00 -0.632535D+00  0.402578D+00 -0.365289D+01
               146           147           148           149           150 
      1   0.474194D+01 -0.365289D+01  0.481166D+01 -0.304243D+00 -0.262995D+00
      2  -0.308776D+00 -0.189785D+00 -0.304243D+00 -0.130054D+01 -0.448370D+01
      3  -0.189785D+00 -0.315082D+00 -0.262995D+00 -0.448370D+01 -0.183448D+01
               151           152           153           154           155 
      1  -0.299133D+01 -0.102691D-01  0.459352D-01  0.123290D-01 -0.413717D+01
      2  -0.102691D-01 -0.337443D+01 -0.177082D+01 -0.413717D+01  0.400728D+00
      3   0.459352D-01 -0.177082D+01  0.286157D+01  0.217081D+01 -0.755011D+00
               156           157           158           159           160 
      1   0.217081D+01 -0.510790D+01  0.121250D+01 -0.899791D+00  0.248036D+01
      2  -0.755011D+00  0.121250D+01  0.449485D+01  0.233989D+01 -0.891466D+00
      3   0.301234D+01 -0.899791D+00  0.233989D+01 -0.854694D+00  0.446808D+01
               161           162           163           164           165 
      1  -0.891466D+00  0.446808D+01 -0.209979D+00 -0.545347D+01  0.163436D+01
      2   0.246028D+01 -0.634700D+00 -0.545347D+01  0.446325D+00 -0.995318D+00
      3  -0.634700D+00 -0.481309D+01  0.163436D+01 -0.995318D+00  0.248343D+01
               166           167           168           169           170 
      1  -0.485816D+01 -0.686457D-01 -0.116292D+01  0.204249D+01 -0.119536D+01
      2  -0.686457D-01  0.241208D+01  0.294870D+01 -0.119536D+01  0.317677D+01
      3  -0.116292D+01  0.294870D+01 -0.300368D+00  0.310777D+01 -0.153393D+01
               171           172           173           174           175 
      1   0.310777D+01  0.458213D+01 -0.242419D+01  0.253504D+01 -0.251779D+01
      2  -0.153393D+01 -0.242419D+01  0.204034D+01 -0.150130D+01  0.173267D+01
      3  -0.560944D+01  0.253504D+01 -0.150130D+01  0.311000D+01 -0.120038D+01
               176           177           178           179           180 
      1   0.173267D+01 -0.120038D+01  0.128454D+01 -0.712070D+00  0.162071D+01
      2  -0.227666D+01  0.208092D+01 -0.712070D+00  0.104403D+01 -0.991520D+00
      3   0.208092D+01 -0.185356D+01  0.162071D+01 -0.991520D+00  0.175897D+01
               181           182           183           184           185 
      1  -0.419542D+01 -0.229769D+01  0.239707D+01 -0.236927D+01 -0.160503D+01
      2  -0.229769D+01 -0.189738D+01  0.143503D+01 -0.160503D+01 -0.216458D+01
      3   0.239707D+01  0.143503D+01 -0.305812D+01  0.115785D+01  0.196668D+01
               186           187           188           189           190 
      1   0.115785D+01  0.153929D+01  0.766452D+00 -0.164569D+01  0.173846D+00
      2   0.196668D+01  0.766452D+00  0.106374D+01 -0.954925D+00  0.192779D+00
      3  -0.193584D+01 -0.164569D+01 -0.954925D+00  0.195303D+01  0.105690D+01
               191           192           193           194           195 
      1   0.192779D+00  0.105690D+01  0.672704D+00  0.759299D-01  0.230099D+00
      2   0.123103D+00  0.144309D+00  0.759299D-01  0.393589D+01  0.282403D+01
      3   0.144309D+00  0.260164D+00  0.230099D+00  0.282403D+01  0.459388D+01
               196           197           198           199           200 
      1   0.784230D+00  0.576125D-01  0.702989D-01 -0.380376D+00 -0.936627D+00
      2   0.576125D-01  0.199066D+01  0.224086D+01 -0.936627D+00 -0.856561D+00
      3   0.702989D-01  0.224086D+01  0.399038D+01 -0.582033D+00 -0.376873D-02
               201           202           203           204           205 
      1  -0.582033D+00 -0.235608D+01 -0.175635D+01  0.795776D-01 -0.108536D+01
      2  -0.376873D-02 -0.175635D+01 -0.613528D+01 -0.112020D+01 -0.128786D+00
      3  -0.301216D+00  0.795776D-01 -0.112020D+01 -0.105871D+01 -0.588953D+00
               206           207           208           209           210 
      1  -0.128786D+00 -0.588953D+00 -0.735610D+01  0.194888D+01 -0.208643D+01
      2  -0.123120D+01 -0.858683D+00  0.194888D+01 -0.117998D+01  0.536531D+00
      3  -0.858683D+00 -0.206944D+00 -0.208643D+01  0.536531D+00 -0.150889D+01
               211           212           213           214           215 
      1   0.423871D+01 -0.191801D+01  0.960015D+00 -0.420651D+01  0.976915D+00
      2  -0.191801D+01  0.123230D+01 -0.902055D+00  0.976915D+00 -0.112769D+01
      3   0.960015D+00 -0.902055D+00  0.100845D+01 -0.249453D+01  0.731029D+00
               216           217           218           219           220 
      1  -0.249453D+01 -0.234759D+01  0.224481D+00  0.169265D+01  0.792050D+00
      2   0.731029D+00  0.224481D+00 -0.345091D+00  0.127612D+00 -0.724940D+00
      3  -0.130589D+01  0.169265D+01  0.127612D+00 -0.188142D+01 -0.754594D-01
               221           222           223           224           225 
      1  -0.724940D+00 -0.754594D-01  0.381724D+01  0.262514D+00 -0.369556D+01
      2  -0.292088D+00  0.640926D+00  0.262514D+00  0.823667D+00 -0.563156D-01
      3   0.640926D+00  0.304041D+00 -0.369556D+01 -0.563156D-01  0.663103D+01
               226           227           228           229           230 
      1   0.426094D+01  0.192529D+01 -0.508605D+00  0.204833D+01  0.183446D+01
      2   0.192529D+01  0.311409D+01  0.396989D+00  0.183446D+01  0.340196D+01
      3  -0.508605D+00  0.396989D+00  0.682059D+00  0.101237D+00 -0.159534D+00
               231           232           233           234           235 
      1   0.101237D+00 -0.620700D+00  0.173148D+00  0.341951D+00 -0.116490D+01
      2  -0.159534D+00  0.173148D+00 -0.636124D+00  0.624810D+00  0.103187D+01
      3   0.554710D+00  0.341951D+00  0.624810D+00  0.348446D+00  0.118946D+01
               236           237           238           239           240 
      1   0.103187D+01  0.118946D+01  0.365329D+00 -0.292041D+00 -0.260696D-01
      2  -0.635646D+00 -0.417795D+00 -0.292041D+00  0.402975D+00  0.814542D+00
      3  -0.417795D+00 -0.159579D+01 -0.260696D-01  0.814542D+00  0.484861D+00
               241           242           243           244           245 
      1   0.162808D+01 -0.877619D+00 -0.227340D+01 -0.494177D+01  0.383242D+01
      2  -0.877619D+00  0.217844D+01  0.232978D+01  0.383242D+01 -0.373467D+01
      3  -0.227340D+01  0.232978D+01  0.756026D+01 -0.119984D+01  0.782844D+00
               246           247           248           249           250 
      1  -0.119984D+01  0.269267D+01 -0.262898D+01  0.705590D+00 -0.236083D+01
      2   0.782844D+00 -0.262898D+01  0.383506D+01 -0.116149D+01  0.177681D+01
      3  -0.131376D+01  0.705590D+00 -0.116149D+01  0.661721D+00 -0.153229D+01
               251           252           253           254           255 
      1   0.177681D+01 -0.153229D+01  0.485077D+01  0.272370D+01 -0.458029D+00
      2  -0.270552D+01  0.135892D+01  0.272370D+01  0.675619D+00 -0.936111D-01
      3   0.135892D+01 -0.778632D+00 -0.458029D+00 -0.936111D-01  0.914812D+00
               256           257           258           259           260 
      1  -0.874532D+00 -0.228532D+01 -0.182772D+00 -0.232423D+00  0.211984D+00
      2  -0.228532D+01 -0.506222D+01  0.297573D+00  0.211984D+00  0.463655D+00
      3  -0.182772D+00  0.297573D+00 -0.439406D+00  0.102771D+01 -0.844627D+00
               261           262           263           264           265 
      1   0.102771D+01 -0.183818D+01 -0.467734D+01  0.382390D+00 -0.625914D+01
      2  -0.844627D+00 -0.467734D+01  0.349754D+00  0.194752D+00 -0.124359D+01
      3   0.438186D+00  0.382390D+00  0.194752D+00  0.432463D+00  0.190247D+00
               266           267           268           269           270 
      1  -0.124359D+01  0.190247D+00  0.717561D+00  0.233943D+00 -0.120047D+01
      2   0.312558D+01  0.427158D+00  0.233943D+00  0.586024D+00  0.473663D+01
      3   0.427158D+00  0.405442D+01 -0.120047D+01  0.473663D+01 -0.110990D+01
               271           272           273           274           275 
      1   0.119526D+01  0.205506D+01 -0.253951D+00  0.866760D+01  0.354633D+01
      2   0.205506D+01  0.127917D+01  0.124148D-01  0.354633D+01  0.102732D+02
      3  -0.253951D+00  0.124148D-01  0.262317D-01  0.147965D+00 -0.475006D+00
               276           277           278           279           280 
      1   0.147965D+00 -0.499631D+00 -0.142530D+00  0.114189D+01  0.102278D+01
      2  -0.475006D+00 -0.142530D+00 -0.621216D+00  0.245670D+01 -0.113188D+00
      3   0.178465D+01  0.114189D+01  0.245670D+01 -0.628701D+00  0.823370D+00
               281           282           283           284           285 
      1  -0.113188D+00  0.823370D+00 -0.161427D+01  0.151381D+01 -0.624969D+00
      2  -0.392540D-01 -0.945486D-01  0.151381D+01 -0.357330D+01  0.190788D+01
      3  -0.945486D-01  0.141956D+00 -0.624969D+00  0.190788D+01 -0.263050D+01
               286           287           288           289           290 
      1   0.278189D+01 -0.124557D+01  0.168652D+01  0.929497D+01  0.185046D+01
      2  -0.124557D+01  0.270783D+01 -0.300808D+01  0.185046D+01  0.139404D+01
      3   0.168652D+01 -0.300808D+01  0.501153D+01 -0.223524D+00 -0.582996D-01
               291           292           293           294           295 
      1  -0.223524D+00  0.456331D+01  0.163594D+01 -0.721678D-01 -0.554699D+00
      2  -0.582996D-01  0.163594D+01  0.129544D+01 -0.116615D+00 -0.503754D-01
      3   0.106907D+01 -0.721678D-01 -0.116615D+00  0.329799D+00  0.124940D+01
               296           297           298           299           300 
      1  -0.503754D-01  0.124940D+01  0.811179D+00 -0.169149D+00 -0.699017D+00
      2  -0.175363D+00 -0.130324D+00 -0.169149D+00 -0.183723D+00 -0.459305D-03
      3  -0.130324D+00 -0.528507D-01 -0.699017D+00 -0.459305D-03 -0.325694D-01
               301           302           303           304           305 
      1  -0.189953D+01  0.166172D+01  0.421262D+00 -0.247629D+01  0.109689D+01
      2   0.166172D+01 -0.462771D+01 -0.210304D+01  0.109689D+01 -0.301567D+01
      3   0.421262D+00 -0.210304D+01 -0.262182D+01  0.125050D+01 -0.291447D+01
               306 
      1   0.125050D+01
      2  -0.291447D+01
      3  -0.357288D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.330385D+01 -0.144398D+01 -0.698896D+01 -0.171554D+01  0.103109D+02
      2   0.243403D+01  0.839707D+01  0.174890D+02  0.606396D+01  0.177323D+01
      3  -0.294083D+00 -0.640255D+01 -0.601578D+01 -0.189945D+01 -0.808111D+01
                 6             7             8             9            10 
      1   0.331349D+01 -0.622944D+01  0.812670D+01 -0.899580D+01 -0.943567D+00
      2  -0.161281D+01  0.823575D+01 -0.371261D+01 -0.974060D+01  0.179744D+01
      3   0.146704D+00 -0.269098D+01 -0.812636D+00  0.990441D+01  0.868140D+01
                11            12            13            14            15 
      1  -0.503167D+01  0.575101D+01 -0.517167D+01 -0.833257D+01 -0.105235D+02
      2  -0.703103D+00  0.259758D+01 -0.209930D+00  0.207437D+01  0.258928D+01
      3  -0.140303D+02  0.129702D+01 -0.836342D+01  0.198896D+00  0.299427D+01
                16            17            18            19            20 
      1   0.394437D+01 -0.291512D+01  0.739957D+01  0.699018D+01  0.290696D+00
      2  -0.183118D+01  0.131766D+01 -0.462560D+00 -0.680986D+01 -0.370853D+01
      3  -0.172336D+00  0.243554D+01 -0.546480D+01 -0.817233D+01 -0.407024D+01
                21            22            23            24            25 
      1   0.500175D+00  0.200065D+01 -0.102915D+02 -0.548460D+01 -0.915184D-01
      2  -0.478509D+01 -0.427959D+01 -0.324486D+01  0.143961D+01 -0.142656D+02
      3  -0.293460D+01  0.220017D+01  0.655098D+01  0.197291D+01 -0.232766D+01
                26            27            28            29            30 
      1   0.117615D+01  0.720522D+01 -0.815192D+01 -0.121122D+00  0.446358D+01
      2   0.358100D+01  0.133370D+02  0.428944D+01  0.380898D+01  0.463714D+01
      3   0.689028D+00 -0.331143D+01  0.295169D+01  0.203978D+01  0.449307D+01
                31            32            33            34            35 
      1  -0.455530D+00  0.104666D+02 -0.829386D+01  0.611232D+01 -0.118624D+01
      2   0.739871D+01 -0.161918D+01 -0.572165D+00 -0.871094D+00 -0.966806D-01
      3   0.855715D+01  0.305068D+01 -0.153126D+01  0.439506D+01 -0.536084D+00
                36            37            38            39            40 
      1  -0.146908D+01  0.493517D+00  0.108481D+01 -0.204466D+01 -0.113510D+01
      2  -0.739179D+01  0.519215D+01 -0.237834D+01  0.101613D+01 -0.431928D+01
      3  -0.415626D+01 -0.329327D+01  0.449697D+01  0.810245D+00  0.694576D+01
                41            42            43            44            45 
      1   0.120893D+01 -0.194561D+01 -0.514460D+01  0.124109D+01 -0.455440D+01
      2  -0.153409D+01 -0.208923D+01 -0.446823D+01 -0.219354D+01  0.210720D+01
      3   0.104421D+01  0.159353D+01 -0.971511D+00 -0.198585D-01  0.122533D+01
                46            47            48            49            50 
      1  -0.281536D+01  0.760479D+00 -0.454343D+00  0.219637D+01  0.417607D+01
      2  -0.239312D+01  0.454174D+01 -0.596724D+00  0.428215D+01 -0.362162D+01
      3  -0.304315D+01  0.148543D+01 -0.208381D+01  0.832857D+01 -0.169485D+01
                51            52            53            54            55 
      1   0.254460D+01  0.337113D+00  0.102905D+02  0.903769D+00  0.263615D+01
      2   0.532066D-01 -0.957073D+01 -0.431380D+00  0.207828D+01 -0.104435D+02
      3   0.180247D+01 -0.229981D+01  0.440416D+01  0.149754D+01  0.698682D+01
                56            57            58            59            60 
      1   0.469129D+01 -0.154405D+01  0.283084D+01  0.239289D+01 -0.123786D+01
      2  -0.328760D+01 -0.301157D-01 -0.379339D+01 -0.268005D+01  0.293726D+00
      3  -0.189347D+01  0.152633D+01  0.232813D+01 -0.818989D+00 -0.216028D-01
                61            62            63            64            65 
      1  -0.291405D+00  0.132374D+01  0.299420D+00 -0.875395D+00 -0.279072D+01
      2  -0.239341D+01 -0.178946D+00  0.599580D+00  0.944882D+01 -0.454130D+01
      3   0.125949D+01 -0.551429D+00  0.102858D+00 -0.612968D+01  0.208120D+01
                66            67            68            69            70 
      1   0.429300D+01 -0.585576D+00 -0.590955D-01 -0.125730D+01  0.237213D+01
      2  -0.945598D+01 -0.244745D+01  0.356280D+01  0.278321D+01 -0.951858D+01
      3   0.587068D+01  0.322328D+01 -0.196157D+01 -0.310927D+01  0.461880D+01
                71            72            73            74            75 
      1   0.300052D+01 -0.482774D+01  0.128252D+01  0.480358D+00  0.372497D+01
      2   0.452009D+01  0.127700D+02  0.423570D+00 -0.147979D+00  0.115043D+01
      3  -0.250679D+01 -0.722315D+01 -0.192979D+02  0.722950D+01 -0.880006D+00
                76            77            78            79            80 
      1  -0.145075D+00  0.118519D+01 -0.211564D+01  0.123404D+01  0.369886D+00
      2  -0.403250D+00  0.156912D+00 -0.111932D+01 -0.185980D+01  0.354401D+00
      3   0.834598D+01 -0.659787D+01 -0.308315D+00  0.497948D-01 -0.634380D+00
                81            82            83            84            85 
      1  -0.435896D+00  0.204809D+01  0.214856D+01 -0.517037D+01  0.191274D+01
      2  -0.255718D+00 -0.183885D+00 -0.530633D+00  0.229476D+01  0.226040D+00
      3  -0.167053D+01  0.662824D+01  0.112575D+01 -0.181304D+01  0.486442D+01
                86            87            88            89            90 
      1   0.385491D+01 -0.475406D+01 -0.227996D+01 -0.924441D+00  0.428434D+01
      2  -0.822862D+00  0.185780D+01 -0.644825D+00  0.103031D+01 -0.120456D+01
      3  -0.112604D-01 -0.689577D+00 -0.270670D+01 -0.114788D+00  0.135562D+01
                91            92            93            94            95 
      1   0.251610D+01 -0.491998D+00  0.193668D+01  0.465427D-01  0.135382D+01
      2   0.381768D+01 -0.289177D+01  0.145595D+02 -0.373757D+01  0.799111D+01
      3   0.158882D+02 -0.364556D+01  0.102098D+01  0.835395D+01 -0.108871D+02
                96            97            98            99           100 
      1  -0.502606D+01  0.174295D+01  0.173100D+01 -0.486420D+01 -0.219299D+01
      2  -0.240185D+01  0.617742D+01 -0.170967D+01 -0.134953D+02 -0.259836D+01
      3  -0.793217D+01  0.127148D+01 -0.681819D+01 -0.431393D+00  0.720785D+00
               101           102           103           104           105 
      1   0.336213D+01  0.113168D+00  0.169630D+01 -0.323021D+01  0.101216D+01
      2   0.114179D+01  0.296717D+01  0.255202D+01  0.124070D+01 -0.257244D+01
      3  -0.318879D+01  0.909513D+00  0.387182D+00  0.287634D+01 -0.309604D+01
               106           107           108           109           110 
      1  -0.561697D+00  0.525543D+01 -0.970049D+00 -0.169343D+01 -0.612078D+00
      2  -0.211738D+01 -0.138846D+01  0.404358D+01 -0.242634D+00  0.134506D+01
      3  -0.580059D+00 -0.325439D+01  0.211754D+01  0.539960D+00  0.419751D+00
               111           112           113           114           115 
      1  -0.334029D+00 -0.114153D+01 -0.130497D+02 -0.145455D+01  0.666013D-01
      2   0.585085D-01  0.303506D+01  0.282426D+01  0.456139D+00 -0.167516D+01
      3  -0.204696D+00  0.585593D+01 -0.165237D+01 -0.273927D+00 -0.452500D+00
               116           117           118           119           120 
      1   0.988586D+00 -0.100116D+01  0.403541D+01 -0.229330D+01 -0.351210D+01
      2  -0.139304D+00  0.122812D+01  0.769569D+01 -0.851410D+00 -0.925673D+00
      3  -0.463080D+00  0.374468D+00  0.427754D+01 -0.251974D+01 -0.353098D+01
               121           122           123           124           125 
      1  -0.181055D+01  0.189645D+01  0.292045D+01 -0.274290D+01  0.452611D+01
      2  -0.462324D+01  0.100796D+01  0.223759D+00 -0.639728D+01 -0.292801D+00
      3  -0.849993D+00  0.167336D+01  0.138743D+01 -0.354598D+01  0.175787D+01
               126           127           128           129           130 
      1   0.593068D+01  0.872053D+00 -0.565521D-01 -0.816732D+00  0.313811D+00
      2   0.303186D+01 -0.317143D-01  0.120230D+00  0.545107D+00 -0.158065D+01
      3   0.381790D+01  0.116970D+01  0.692245D+00  0.441417D+00  0.666668D+01
               131           132           133           134           135 
      1   0.639064D+00 -0.245992D+01  0.904431D+00  0.119732D+01 -0.189634D+01
      2   0.198150D+01  0.212882D+01 -0.367180D+01  0.102437D+01  0.262685D+01
      3  -0.236837D+01 -0.119420D+01  0.213988D+01 -0.123195D+01 -0.289373D+00
               136           137           138           139           140 
      1  -0.146058D+00  0.147140D+00 -0.342010D+00  0.560156D-01 -0.161958D+01
      2  -0.873643D+00 -0.945183D+00  0.792810D+01  0.225126D+01  0.655912D+00
      3   0.162361D+02 -0.941031D+01  0.178784D+01  0.132268D+02  0.464967D+01
               141           142           143           144           145 
      1  -0.350584D+01  0.614168D+00  0.130219D+01  0.325520D+00  0.103020D+02
      2  -0.107927D+01 -0.842839D+01 -0.265539D+01  0.596390D+00  0.223814D+01
      3  -0.802985D+00 -0.143563D+00  0.443766D+00  0.198102D+01  0.309518D+01
               146           147           148           149           150 
      1  -0.369867D+00 -0.504938D-01 -0.736195D+00 -0.817246D+01 -0.194044D+02
      2  -0.136488D+02  0.159798D+02 -0.127223D+02  0.292940D+01  0.788266D+00
      3  -0.651141D+01  0.394917D+01 -0.264171D+01 -0.183855D+00 -0.197876D+01
               151           152           153           154           155 
      1  -0.577379D+00 -0.105211D+02 -0.348549D+01 -0.119791D+01  0.588510D-01
      2   0.662733D+01  0.142311D+01 -0.202104D+01 -0.855058D+01  0.413674D+01
      3   0.233772D+01 -0.210560D+01 -0.112000D+01 -0.162542D+02  0.141767D+01
               156           157           158           159           160 
      1   0.560888D+00  0.807066D+00  0.315701D+01 -0.788279D+00  0.145259D+01
      2  -0.111530D+02  0.512458D+01 -0.102012D+02  0.291711D+01 -0.228775D+02
      3  -0.302448D+01  0.980949D+01  0.208675D+02  0.947790D+01 -0.385813D+01
               161           162           163           164           165 
      1   0.302232D+01 -0.102767D+01 -0.878437D+01  0.228915D+01 -0.640332D+01
      2   0.193607D+01  0.188465D+02 -0.314584D+01  0.754703D+01 -0.476275D+01
      3   0.988940D+01 -0.241689D+01 -0.145403D+02 -0.168764D+02  0.986433D+00
               166           167           168           169           170 
      1   0.230652D+01 -0.668267D+01  0.138023D+01 -0.893088D+01  0.102192D+02
      2   0.675287D+01 -0.612142D+01  0.144589D+01 -0.108613D+02  0.477285D+01
      3  -0.115963D+02  0.357265D+01  0.411719D+01  0.196480D+01  0.433876D+01
               171           172           173           174           175 
      1   0.148159D+02 -0.500908D+01  0.550321D+01 -0.210400D+00  0.380102D+01
      2   0.119070D+02 -0.159803D+02  0.743131D+01 -0.617772D+01  0.856553D+01
      3   0.279353D+01 -0.725193D+01  0.159356D+01 -0.292396D+01  0.496128D+01
               176           177           178           179           180 
      1  -0.461229D+01  0.195432D+01 -0.900970D+00  0.341559D+01 -0.921200D+00
      2  -0.588515D+01  0.341441D+01 -0.611462D+01  0.307738D+01 -0.466897D+01
      3  -0.199390D+01  0.221745D+01 -0.177615D+01  0.604280D+00 -0.213281D+01
               181           182           183           184           185 
      1  -0.446800D+01 -0.541643D+01  0.236944D-01 -0.351117D+01 -0.419433D+01
      2   0.121491D+02  0.500976D+01 -0.144018D+01  0.657631D+01  0.279476D+01
      3   0.353292D+01 -0.123053D+01 -0.627621D+00  0.233763D+01 -0.106148D+01
               186           187           188           189           190 
      1   0.173348D+01  0.978942D+00  0.355101D+01 -0.110823D+01  0.128747D+01
      2  -0.762593D+00 -0.426730D+01 -0.161078D+01  0.221617D+01 -0.864670D+00
      3   0.473803D+00 -0.852299D+00  0.755702D+00  0.676773D+00  0.203909D+00
               191           192           193           194           195 
      1  -0.811594D-01  0.535733D+00 -0.151816D+00  0.163989D+02  0.894769D+01
      2  -0.673091D+00 -0.184204D+01 -0.382555D+01 -0.140556D+01 -0.298163D+01
      3  -0.486288D+00 -0.599808D+00  0.178075D+01  0.184071D+01  0.155504D+01
               196           197           198           199           200 
      1   0.200168D+00  0.963526D+01  0.860156D+01 -0.727255D+00  0.109777D-01
      2  -0.379750D+01 -0.149579D+01 -0.280910D+01  0.210972D+01  0.348284D+00
      3   0.256118D+00  0.125518D+01  0.121666D+01 -0.389187D+01 -0.259016D+01
               201           202           203           204           205 
      1  -0.363352D+00 -0.179937D-01 -0.305258D+01 -0.379347D+01  0.399281D-01
      2   0.139012D+01 -0.213848D+00  0.533471D+01  0.543312D+01  0.672339D+00
      3   0.509085D+00 -0.938927D+00 -0.266952D+02 -0.568523D+01  0.798811D+00
               206           207           208           209           210 
      1  -0.419008D+00 -0.962839D+00  0.102228D+00  0.573447D+00  0.347885D+00
      2   0.379821D+01  0.173349D+01  0.939935D+01 -0.293035D+01  0.906188D+01
      3  -0.595360D+01 -0.346781D+01  0.833595D+01 -0.781008D+01  0.299251D+01
               211           212           213           214           215 
      1  -0.319875D+00 -0.505829D+00 -0.107029D+01 -0.929775D-01  0.112341D+01
      2  -0.432494D+01  0.400194D+01 -0.535967D+01  0.855709D+01 -0.303787D+01
      3  -0.562376D+01  0.572150D+01 -0.354216D+01  0.384239D+01 -0.596246D+01
               216           217           218           219           220 
      1   0.410737D+00  0.479385D+00 -0.831263D+00 -0.791889D+00 -0.939003D-01
      2   0.658488D+01 -0.533446D+01 -0.443097D+00  0.779937D+01 -0.114661D+00
      3   0.309859D+01  0.117463D+01 -0.243624D+01 -0.152646D+00 -0.139394D+01
               221           222           223           224           225 
      1   0.199125D-01 -0.605391D+00 -0.551521D+00  0.315489D+01  0.179567D+01
      2  -0.195476D+01 -0.900005D+00  0.893536D+01  0.132689D+00 -0.265836D+02
      3  -0.116389D+01  0.183684D+01  0.514911D+00  0.472712D+01  0.228784D-01
               226           227           228           229           230 
      1   0.366660D+01  0.145581D+01 -0.346431D+01  0.170353D+01  0.271485D+01
      2  -0.337589D+01 -0.220048D+01  0.657938D+00 -0.191738D+01 -0.119534D+01
      3   0.201517D+02  0.967758D+01 -0.151300D+01  0.117118D+02  0.106796D+02
               231           232           233           234           235 
      1  -0.293788D+01 -0.169551D+01 -0.791561D+00  0.137272D+00 -0.193833D+01
      2  -0.918957D-01 -0.110942D+01 -0.111710D+01 -0.878022D+00 -0.147608D+01
      3  -0.386852D+00 -0.216056D+01 -0.952753D+00  0.246063D+01  0.153473D+00
               236           237           238           239           240 
      1   0.628651D-01  0.359934D+01  0.378131D+00 -0.178813D+01 -0.137082D+01
      2   0.433869D+00  0.359198D+01 -0.346357D+00 -0.180983D+01 -0.599715D+00
      3  -0.330564D+00  0.132592D+01  0.123688D+01  0.133228D+00  0.126146D+01
               241           242           243           244           245 
      1   0.446436D+01  0.105720D+00 -0.183443D+02  0.567629D+01 -0.382771D+01
      2   0.690110D+00 -0.430251D+01 -0.163171D+02  0.512327D+01 -0.404609D+01
      3   0.263842D+01  0.409114D+01  0.513946D+00 -0.355710D+01 -0.247523D+01
               246           247           248           249           250 
      1   0.541203D+01 -0.366855D+01  0.489613D+01 -0.430363D+01  0.447966D+01
      2   0.570785D+01 -0.319400D+01  0.425535D+01 -0.303112D+01  0.364374D+01
      3  -0.131917D+01  0.290174D+01  0.327922D+01 -0.585911D+00 -0.240651D+01
               251           252           253           254           255 
      1  -0.334309D+01  0.336368D+01 -0.324953D+00 -0.240698D+00 -0.141312D+01
      2  -0.390747D+01  0.334134D+01 -0.302652D+01 -0.988984D+00 -0.113967D+02
      3  -0.326652D+01 -0.259971D+00 -0.147020D+02  0.299618D+01  0.527906D+00
               256           257           258           259           260 
      1   0.534017D+00  0.151060D+01  0.720513D+01  0.727985D+00  0.992834D+01
      2  -0.232684D+01  0.202098D+01 -0.833978D+01 -0.201676D+02 -0.942231D+00
      3   0.121784D+01  0.226440D+02 -0.168973D+01  0.237649D+01 -0.248281D+01
               261           262           263           264           265 
      1  -0.180181D+01 -0.165189D+00  0.427502D+00  0.170347D+01  0.534917D-01
      2   0.187569D+01  0.176356D+01  0.160766D+01  0.611138D+01  0.210563D+01
      3   0.289235D+01  0.227292D+02 -0.162895D+01 -0.120610D+01  0.150569D+02
               266           267           268           269           270 
      1   0.904850D+00  0.236953D+01 -0.372578D+01  0.781549D+01 -0.678471D+00
      2   0.197110D+01  0.179530D+02 -0.929878D+01  0.231669D+02 -0.519848D+01
      3  -0.133631D+02 -0.203083D+01 -0.147374D+01 -0.295360D+01 -0.212240D+02
               271           272           273           274           275 
      1   0.588392D+00  0.406722D+00  0.954996D+00  0.104574D+00 -0.834499D-02
      2  -0.101239D+01 -0.548546D-01  0.660033D+01  0.634376D+00 -0.240861D+01
      3  -0.763381D+01 -0.775830D+01 -0.395553D+00  0.305394D+01 -0.376582D+02
               276           277           278           279           280 
      1  -0.975654D+01 -0.240667D+00  0.259406D+00  0.114148D+01  0.443753D+00
      2   0.113253D+02  0.500002D+01  0.783252D+01 -0.316393D+01  0.333901D+01
      3   0.198292D+01 -0.992244D+00  0.260144D+01 -0.791190D+01  0.865137D-02
               281           282           283           284           285 
      1  -0.136277D+00 -0.694112D-01 -0.708861D+00  0.996403D+00 -0.362534D+01
      2  -0.355779D+00  0.700275D+00 -0.231153D+01  0.870134D+01 -0.117625D+02
      3  -0.536216D+00 -0.446086D+00 -0.374295D+01  0.143811D+02 -0.793293D+01
               286           287           288           289           290 
      1   0.125926D+01 -0.924614D+00  0.498572D+01 -0.116236D+00  0.143607D-02
      2   0.528362D+01 -0.135049D+02  0.222263D+02 -0.203365D+01 -0.553914D+00
      3   0.224157D+01 -0.113021D+02  0.125659D+02 -0.146547D+02 -0.101550D+02
               291           292           293           294           295 
      1   0.300611D+00  0.618061D-01 -0.464490D-01 -0.844496D+00  0.736405D+00
      2   0.694628D+01 -0.749497D+00 -0.699104D+00  0.200681D+01  0.407423D+01
      3   0.527552D+00 -0.824150D+01 -0.735827D+01  0.579842D+00  0.555855D+00
               296           297           298           299           300 
      1   0.433130D+00 -0.162092D-01 -0.566280D+00 -0.106169D-01 -0.247683D+00
      2  -0.718142D+00 -0.419477D+00 -0.321463D+01 -0.208369D+00  0.236940D+00
      3   0.943284D+00  0.110958D+00  0.501066D+00  0.278437D+00  0.911146D+00
               301           302           303           304           305 
      1   0.936225D+00 -0.221755D+01 -0.428325D+01  0.113887D+01 -0.171559D+01
      2   0.187274D+01 -0.100748D+02 -0.118335D+02  0.412638D+01 -0.132803D+02
      3  -0.387633D+01  0.191360D+02  0.902909D+01 -0.185085D+01  0.129863D+02
               306 
      1  -0.445504D+01
      2  -0.161772D+02
      3   0.123513D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.179260D+01 -0.117170D+02 -0.203805D+02 -0.780220D+01 -0.108552D+02
      2   0.803456D+01  0.449851D+01 -0.434294D+01  0.361706D+01  0.114995D+02
      3  -0.624196D+01  0.721846D+01  0.247235D+02  0.418514D+01 -0.644259D+00
      4  -0.172367D+02 -0.103226D+02 -0.138672D+02 -0.962399D+01  0.546802D+01
      5  -0.182091D+02 -0.160968D+02 -0.104433D+02 -0.122115D+02 -0.153318D+01
      6  -0.232698D+02 -0.773850D+01  0.524852D+01 -0.536349D+01  0.748795D+01
                 6             7             8             9            10 
      1   0.162018D+01 -0.137997D+02  0.254408D+01  0.149714D+02  0.102542D+02
      2   0.767961D+01 -0.382670D+01  0.779637D+01 -0.648719D+01 -0.219947D+02
      3  -0.929979D+01  0.176264D+02 -0.103405D+02 -0.848425D+01  0.117406D+02
      4  -0.110244D+01 -0.749107D+01  0.581687D-01 -0.732300D+00  0.622707D+00
      5  -0.606488D+01 -0.276629D+01 -0.575283D+01  0.114260D+02  0.437431D+01
      6  -0.562211D+01  0.427068D+01 -0.771383D+01 -0.951130D+01  0.588238D+01
                11            12            13            14            15 
      1  -0.156700D+01  0.427787D-01 -0.269764D+01 -0.349262D+00 -0.479375D+01
      2  -0.215025D+01  0.932993D+01 -0.101855D+01 -0.332928D+01  0.125628D+02
      3   0.371724D+01 -0.937270D+01  0.371618D+01  0.367855D+01 -0.776908D+01
      4  -0.177635D+02  0.678192D+01 -0.133087D+02 -0.238829D+01  0.106032D+02
      5   0.569082D+01 -0.432981D+01  0.469368D+01  0.829296D+01  0.451133D+01
      6   0.843177D+01 -0.670212D+01  0.660687D+01  0.105719D+02  0.171672D+01
                16            17            18            19            20 
      1  -0.255669D+01 -0.659675D+01 -0.411584D+01 -0.485799D+00  0.602869D+01
      2   0.909128D+01  0.153719D+02  0.100576D+02  0.176054D+00 -0.604543D+01
      3  -0.653459D+01 -0.877519D+01 -0.594173D+01  0.309745D+00  0.167486D-01
      4   0.355936D+01  0.107063D+02 -0.403662D+01  0.104878D+02 -0.435247D+01
      5  -0.456902D+01  0.105046D+00 -0.553823D+01 -0.172446D+01  0.119476D+02
      6  -0.543254D+01  0.680024D+00 -0.379145D+01  0.122427D+02  0.881565D+00
                21            22            23            24            25 
      1   0.626810D+01  0.516976D+01  0.501351D+01 -0.109349D+01  0.125696D+02
      2   0.115515D+02 -0.638874D+01  0.593049D+00 -0.891005D+01  0.515272D+01
      3  -0.178196D+02  0.121898D+01 -0.560655D+01  0.100035D+02 -0.177224D+02
      4   0.850890D+01 -0.415735D+01 -0.741368D+01 -0.111319D+02  0.698999D+01
      5  -0.163954D+02  0.108095D+02 -0.117393D+02  0.123242D+02 -0.217328D+02
      6   0.105876D+02 -0.352627D+01 -0.877203D+01 -0.887826D+01  0.882768D+01
                26            27            28            29            30 
      1  -0.160618D+01 -0.182510D+02 -0.352594D+00  0.161493D+01 -0.942061D+01
      2  -0.672228D+01  0.110605D+02  0.838324D+01 -0.312086D+01 -0.720622D+01
      3   0.832846D+01  0.719052D+01 -0.803064D+01  0.150593D+01  0.166268D+02
      4  -0.503039D+01  0.151845D+02  0.163751D+01  0.131127D+01 -0.644697D+00
      5   0.145750D+02 -0.779769D+01 -0.771544D+00 -0.444644D+01 -0.756142D+01
      6  -0.486900D+01  0.968171D+01 -0.778818D+01  0.414021D-03 -0.285975D+01
                31            32            33            34            35 
      1   0.126652D+01  0.140494D+02  0.230150D+01 -0.128815D+02  0.290117D+01
      2  -0.445732D+01 -0.210074D+02  0.113192D+02 -0.484778D+01  0.464773D+01
      3   0.319079D+01  0.695798D+01 -0.136207D+02  0.177293D+02 -0.754890D+01
      4   0.264684D+01  0.467658D+00  0.181797D+01 -0.222017D+01 -0.374162D+00
      5  -0.522664D+01  0.680198D+01  0.230735D+01 -0.221248D+01 -0.232579D+00
      6   0.319070D+01  0.202025D+02 -0.135804D+01 -0.474752D+01  0.133667D+01
                36            37            38            39            40 
      1  -0.235158D+01 -0.381239D+02  0.343551D+01  0.964842D+00  0.101464D+02
      2   0.413429D+01  0.192373D+02 -0.349399D+01 -0.621875D-01 -0.350695D+01
      3  -0.178271D+01  0.188866D+02  0.584811D-01 -0.902654D+00 -0.663947D+01
      4  -0.348077D+01 -0.169454D+01 -0.115578D+02  0.190575D+01 -0.406547D+01
      5   0.958187D+01  0.852819D+00  0.257482D+01 -0.980067D+01  0.345609D+01
      6  -0.759507D+01  0.480506D+01 -0.116600D+01 -0.116211D+01 -0.210365D+01
                41            42            43            44            45 
      1   0.312533D+01 -0.164885D+01  0.450993D+01 -0.295336D+01  0.877681D+01
      2   0.669723D-01 -0.276714D+01 -0.800591D-02  0.248106D+01 -0.289649D+01
      3  -0.319230D+01  0.441599D+01 -0.450192D+01  0.472301D+00 -0.588032D+01
      4   0.611302D+00 -0.205589D+01  0.185080D+01  0.337452D+00 -0.530022D+00
      5  -0.258871D+01 -0.298022D+01 -0.373703D+01 -0.188078D+01 -0.314649D+01
      6  -0.561380D+01 -0.865006D+01  0.100665D+01 -0.605900D+01 -0.661346D+00
                46            47            48            49            50 
      1  -0.183511D+02  0.807087D+01 -0.337731D+01  0.151563D+02 -0.637415D+01
      2   0.304791D+01  0.486059D+00  0.168426D+00 -0.666366D+01 -0.544481D+01
      3   0.153032D+02 -0.855693D+01  0.320889D+01 -0.849266D+01  0.118190D+02
      4   0.132039D+02 -0.279895D+01 -0.177532D+01 -0.455038D+00  0.624242D+00
      5  -0.379763D+01 -0.520809D+01  0.377589D+01 -0.427173D+01 -0.523982D+01
      6  -0.899102D+01  0.801838D+00  0.147377D+01  0.822395D+00 -0.686597D+01
                51            52            53            54            55 
      1   0.589740D+01 -0.860174D+01  0.942148D+01 -0.115197D+01  0.204545D+02
      2  -0.103227D+02  0.186770D+01 -0.145625D+02  0.773717D-01 -0.124029D+02
      3   0.442529D+01  0.673404D+01  0.514099D+01  0.107460D+01 -0.805162D+01
      4  -0.748997D+01  0.214400D+01 -0.110862D+02  0.123231D+01  0.262002D+02
      5   0.551763D+00  0.255549D+01 -0.161594D+01  0.753368D+01  0.295038D+02
      6   0.592033D+01  0.549477D+00  0.247946D+01  0.434317D+01  0.179692D+02
                56            57            58            59            60 
      1   0.400816D+01  0.481109D+01  0.383030D+01  0.108013D+01 -0.117783D+01
      2   0.357830D+00 -0.642600D+01  0.123212D+01  0.386738D+01 -0.396243D+00
      3  -0.436599D+01  0.161491D+01 -0.506243D+01 -0.494751D+01  0.157408D+01
      4   0.185330D+02  0.145832D+02  0.161368D+02  0.140645D+02  0.861586D+01
      5   0.158716D+02  0.216006D+02  0.115590D+02  0.109784D+02  0.864184D+01
      6   0.147312D+02  0.128924D+02  0.108429D+02  0.116366D+02  0.107331D+02
                61            62            63            64            65 
      1   0.277588D+01 -0.111424D+01 -0.826555D+00 -0.795773D+01  0.924878D+01
      2  -0.445926D+01 -0.230890D+01 -0.533162D+01 -0.242032D+01 -0.365898D+01
      3   0.168339D+01  0.342314D+01  0.615817D+01  0.103780D+02 -0.558980D+01
      4   0.798368D+01  0.596795D+01  0.816929D+01 -0.277400D+01  0.276900D+01
      5   0.146280D+02  0.808307D+01  0.127209D+02 -0.512876D+01  0.362882D+01
      6   0.778332D+01  0.895640D+01  0.112819D+02  0.103367D+02 -0.889920D+01
                66            67            68            69            70 
      1   0.174170D+02  0.417032D+01 -0.837673D+01 -0.820753D+01  0.109106D+02
      2   0.396384D+01 -0.261349D+01  0.326487D+01  0.198908D+01  0.221986D+01
      3  -0.213809D+02 -0.155684D+01  0.511186D+01  0.621845D+01 -0.131305D+02
      4   0.503562D+01  0.301931D+01 -0.112297D+01 -0.213426D+00  0.411407D+01
      5   0.737676D+01  0.269661D+01 -0.127076D+01  0.235505D+00  0.664561D+01
      6  -0.148195D+02 -0.439021D+01  0.847211D+01  0.138167D+02 -0.732887D+01
                71            72            73            74            75 
      1  -0.111468D+02 -0.288304D+02 -0.350247D+01  0.110951D+02  0.110724D+01
      2   0.122274D+00 -0.973025D+01  0.144366D+02 -0.195664D+02 -0.872499D+00
      3   0.110245D+02  0.385607D+02 -0.109341D+02  0.847126D+01 -0.234742D+00
      4   0.314616D+00 -0.159772D+01 -0.154676D+02  0.114951D+02 -0.120465D+01
      5   0.863517D+00 -0.186222D+01 -0.228993D+01  0.696450D+00  0.123698D+01
      6   0.151777D+02  0.250625D+02 -0.376630D+00 -0.191923D+01 -0.443343D+01
                76            77            78            79            80 
      1   0.582339D+01 -0.102133D+02 -0.110564D+00  0.596222D+00  0.134734D+00
      2  -0.123554D+02  0.207139D+02 -0.175860D+01 -0.129635D+01 -0.116945D+01
      3   0.653200D+01 -0.105006D+02  0.186917D+01  0.700128D+00  0.103471D+01
      4   0.103952D+02 -0.835261D+01 -0.627108D+00 -0.279323D-02 -0.139739D+01
      5   0.460552D+00 -0.155615D+01 -0.435191D+00  0.280630D+01 -0.640326D+00
      6  -0.142507D+01  0.366646D+00  0.373262D+01 -0.338250D+01  0.554300D+01
                81            82            83            84            85 
      1  -0.214740D+01  0.351688D+01 -0.417228D+01 -0.369599D+00 -0.217375D+01
      2   0.135310D+01  0.857875D+01  0.162686D+02 -0.393778D+01  0.105552D+02
      3   0.794303D+00 -0.120956D+02 -0.120963D+02  0.430738D+01 -0.838150D+01
      4  -0.139706D+01  0.148711D+02  0.195262D+02 -0.652410D+01  0.150451D+02
      5   0.487236D+00 -0.456242D+01 -0.408688D+01  0.524128D+01 -0.271803D+01
      6   0.134753D+01 -0.469325D+01 -0.562960D+01  0.696980D+01 -0.390644D+01
                86            87            88            89            90 
      1  -0.119247D+02  0.348419D+01  0.453410D+00  0.595174D+01 -0.317632D+01
      2   0.308496D+02 -0.882818D+01 -0.379896D+01 -0.123640D+02  0.443077D+01
      3  -0.189249D+02  0.534399D+01  0.334555D+01  0.641221D+01 -0.125445D+01
      4   0.218273D+02 -0.710050D+01 -0.630809D+01 -0.886845D+01  0.703734D+01
      5  -0.558132D+01  0.373834D+01  0.454406D+01  0.454285D+01 -0.471735D+01
      6  -0.940850D+01  0.733665D+01  0.544082D+01  0.980770D+01 -0.746521D+01
                91            92            93            94            95 
      1  -0.396610D+01 -0.296426D+02  0.861544D+01 -0.344304D+02  0.972297D+01
      2   0.951169D+01  0.136128D+02 -0.297484D+01  0.167984D+02 -0.963341D+01
      3  -0.554559D+01  0.160298D+02 -0.564061D+01  0.176320D+02 -0.895668D-01
      4  -0.300178D+02  0.942319D+01 -0.258138D+01  0.623903D+01  0.137758D+02
      5   0.518139D+01 -0.670638D+00  0.172283D+02 -0.218407D+01  0.107888D+02
      6   0.363915D+01 -0.461663D+00 -0.279055D+01 -0.310367D+00 -0.251200D+01
                96            97            98            99           100 
      1  -0.234684D+01  0.803340D+01  0.660471D+00  0.192052D+02  0.100194D+02
      2  -0.235061D+01 -0.198982D+01 -0.592025D+01 -0.755279D+01 -0.126153D+02
      3   0.469745D+01 -0.604358D+01  0.525978D+01 -0.116524D+02  0.259585D+01
      4   0.137177D+02 -0.394272D+01  0.137901D+02 -0.704743D+01 -0.112594D+02
      5  -0.676510D+01  0.181514D+02 -0.450838D+01 -0.181285D+02  0.215681D+02
      6  -0.419351D+00 -0.331984D+01  0.115123D+01  0.392347D+01 -0.896033D+01
               101           102           103           104           105 
      1  -0.319673D+01  0.241414D+01 -0.206059D+01 -0.339535D+01  0.394966D+01
      2   0.400322D+01 -0.119636D+02  0.327041D+01 -0.987376D+00  0.404550D+01
      3  -0.806485D+00  0.954949D+01 -0.120981D+01  0.438273D+01 -0.799516D+01
      4   0.958156D+01 -0.865079D+01  0.992680D+01 -0.970810D+01  0.103659D+02
      5  -0.107437D+02  0.248913D+02 -0.108735D+02  0.121242D+02 -0.134538D+02
      6   0.671294D+01 -0.887201D+01  0.767513D+01 -0.112503D+02  0.153735D+02
               106           107           108           109           110 
      1  -0.118068D+01  0.356576D+01 -0.815463D+01  0.516187D-01 -0.941319D+00
      2  -0.991159D+01  0.480964D+01 -0.177604D+02  0.261223D+01  0.238881D+01
      3   0.110923D+02 -0.837540D+01  0.259150D+02 -0.266384D+01 -0.144749D+01
      4  -0.642152D+01  0.731165D+01 -0.107486D+02  0.624869D+00  0.574681D+01
      5   0.213226D+02 -0.116291D+02  0.294887D+02 -0.927664D+00 -0.217320D+01
      6  -0.791007D+01  0.120846D+02 -0.154898D+02 -0.263398D+01 -0.130088D+01
               111           112           113           114           115 
      1   0.106196D+01 -0.984917D+00 -0.263800D+02  0.101941D+02  0.279833D+01
      2   0.289295D+00  0.251177D+01  0.368891D+02 -0.816943D+01  0.479265D-01
      3  -0.135126D+01 -0.152685D+01 -0.105091D+02 -0.202464D+01 -0.284626D+01
      4  -0.120586D+01  0.563856D+01  0.180107D+01 -0.132024D+01 -0.148024D+00
      5   0.322974D+01 -0.359020D+01 -0.459719D+01  0.126515D+01  0.285205D+01
      6   0.115373D+01 -0.429146D+01 -0.284975D+02  0.134284D+02  0.189240D+01
               116           117           118           119           120 
      1   0.555555D+01 -0.539015D+01  0.202210D+01 -0.116788D+01  0.467080D+01
      2  -0.238469D+01  0.304018D+01 -0.102127D+02  0.161861D+01  0.796398D+01
      3  -0.317086D+01  0.234997D+01  0.819058D+01 -0.450735D+00 -0.126348D+02
      4   0.823076D-01  0.505470D+00  0.159515D+01  0.155753D+01 -0.157825D+01
      5   0.928240D+00 -0.199096D+01 -0.125475D+02  0.115357D+01  0.136161D+02
      6   0.994212D+01 -0.630235D+01  0.216753D-01 -0.258284D+01  0.216483D+01
               121           122           123           124           125 
      1   0.119099D+00 -0.383926D+01 -0.365845D+01  0.373309D+01  0.472170D-01
      2   0.289891D+01  0.113949D+01 -0.501127D+01  0.792617D+01 -0.284561D+01
      3  -0.301801D+01  0.269977D+01  0.866973D+01 -0.116593D+02  0.279839D+01
      4   0.124964D+01 -0.650373D+00 -0.117854D+01 -0.171250D+01 -0.131195D+01
      5   0.433922D+01 -0.300144D+01 -0.406269D+01  0.123062D+02 -0.331452D+00
      6  -0.241400D+01 -0.422430D-01  0.452551D+01  0.221051D+01  0.473541D+01
               126           127           128           129           130 
      1  -0.134585D+02  0.874834D+01  0.563770D+00  0.122656D+01  0.449636D+01
      2  -0.136585D+02 -0.324832D+01  0.203985D+00 -0.464781D+00 -0.213532D+01
      3   0.271170D+02 -0.550002D+01 -0.767755D+00 -0.761783D+00 -0.236104D+01
      4   0.187750D+01  0.159354D+01  0.324277D+01  0.198548D+01  0.436128D+01
      5  -0.141791D+02  0.221837D+01  0.153589D+01  0.306539D+01  0.217517D+01
      6  -0.202275D+01  0.268103D+01  0.112251D+01  0.175048D+01  0.127046D+01
               131           132           133           134           135 
      1  -0.897483D+01 -0.499755D+01  0.191558D+01 -0.427339D+01 -0.833700D+01
      2   0.104332D+02  0.460850D+01 -0.179608D+01  0.231204D+01  0.143832D+01
      3  -0.145842D+01  0.389052D+00 -0.119504D+00  0.196135D+01  0.689868D+01
      4   0.294034D+01  0.255229D+01  0.173322D+01  0.217539D+01  0.237632D+01
      5   0.255575D+01  0.274016D+01  0.378280D+01  0.276650D+01  0.439018D+01
      6   0.932745D+01  0.855690D+01  0.125876D+01  0.763186D+01  0.869953D+01
               136           137           138           139           140 
      1   0.245691D+02 -0.974232D+01  0.477377D+01 -0.243133D+02 -0.333927D+01
      2  -0.133607D+02  0.277290D+01 -0.245819D+01  0.133776D+02  0.477232D+01
      3  -0.112084D+02  0.696942D+01 -0.231558D+01  0.109358D+02 -0.143305D+01
      4  -0.906118D+01  0.195028D+02 -0.166300D+01  0.116148D+02 -0.293337D+01
      5   0.346540D+01 -0.131920D+01  0.161868D+02 -0.208195D+01  0.128670D+01
      6  -0.972325D+00 -0.631037D+00  0.366202D+00 -0.749994D-01  0.313275D+00
               141           142           143           144           145 
      1   0.428287D+00  0.309840D+01  0.974230D+00 -0.506546D+01  0.124254D+02
      2   0.427146D+00 -0.753962D+00 -0.374046D+00  0.122373D+01 -0.171159D+01
      3  -0.855434D+00 -0.234444D+01 -0.600184D+00  0.384172D+01 -0.107138D+02
      4   0.135817D+01 -0.105830D+01 -0.558519D+00 -0.278544D+01 -0.748481D+01
      5   0.117695D+01  0.910690D+00 -0.154678D+01  0.491807D+00  0.495004D+01
      6   0.525721D+01  0.624513D+00  0.319350D+01 -0.933405D+00  0.266295D+02
               146           147           148           149           150 
      1  -0.681966D+01  0.536531D+01 -0.650763D+01  0.104592D+02  0.682734D+01
      2   0.328600D+01 -0.350408D+01  0.346132D+01  0.954449D+01  0.850573D+01
      3   0.353366D+01 -0.186123D+01  0.304631D+01 -0.200037D+02 -0.153331D+02
      4  -0.920266D+01  0.107927D+02 -0.912546D+01  0.163289D+01  0.622940D+01
      5   0.220154D+02 -0.176705D+02  0.217419D+02  0.479540D+01  0.217034D+01
      6  -0.172858D+01 -0.531274D-01 -0.146648D+01 -0.362278D+01 -0.220996D+02
               151           152           153           154           155 
      1   0.424874D+01  0.303757D+01 -0.687698D+01 -0.605236D+00  0.318291D+02
      2  -0.172952D+01  0.926150D+01 -0.513926D+01  0.103667D+01 -0.163425D+02
      3  -0.251922D+01 -0.122991D+02  0.120162D+02 -0.431432D+00 -0.154866D+02
      4   0.618573D+01  0.488814D+01  0.132223D+01  0.320946D+02 -0.394442D+01
      5  -0.142577D+02  0.204462D+01 -0.406573D+01 -0.174470D+02  0.476788D+01
      6  -0.208228D+00 -0.161680D+02 -0.119344D+02 -0.101108D+01 -0.551660D+00
               156           157           158           159           160 
      1  -0.189444D+02  0.379656D+02 -0.878816D+01  0.804336D+01 -0.243328D+02
      2   0.618673D+01 -0.204334D+02  0.133098D+01 -0.424976D+01  0.580322D+01
      3   0.127576D+02 -0.175322D+02  0.745718D+01 -0.379360D+01  0.185296D+02
      4   0.505071D+01 -0.935403D+01 -0.275667D+02 -0.151364D+02  0.783798D+01
      5  -0.219399D+02  0.811998D+01 -0.143216D+02  0.632581D+01 -0.342775D+02
      6  -0.566154D+00 -0.897911D+00  0.125501D+01  0.136567D+01 -0.722155D-01
               161           162           163           164           165 
      1   0.733813D+01 -0.253310D+02  0.994351D+01  0.275011D+02 -0.806957D+01
      2  -0.366780D+01  0.208921D+02 -0.236214D+02 -0.132700D+02 -0.427042D+01
      3  -0.367033D+01  0.443885D+01  0.136779D+02 -0.142310D+02  0.123400D+02
      4  -0.158828D+02  0.470655D+01  0.239414D+02 -0.214249D+02  0.101919D+02
      5   0.496175D+01  0.340631D+02 -0.881073D+01  0.243990D+01 -0.946000D+01
      6   0.682146D+00  0.200849D+01  0.415539D+01 -0.732773D+01  0.862569D+01
               166           167           168           169           170 
      1   0.251249D+02 -0.972111D+01 -0.268546D+00 -0.115502D+02  0.161871D+01
      2  -0.123378D+02  0.856751D+01  0.105079D+02 -0.499590D+01  0.140735D+02
      3  -0.127871D+02  0.115360D+01 -0.102393D+02  0.165461D+02 -0.156922D+02
      4  -0.182357D+02 -0.700133D+01 -0.149256D+02  0.129345D+02 -0.183592D+02
      5   0.224135D+01 -0.123057D+02  0.211852D+01 -0.136589D+02  0.833928D+01
      6  -0.587196D+01  0.131389D+02 -0.415913D+00  0.116974D+02 -0.492770D+01
               171           172           173           174           175 
      1  -0.384169D+01 -0.589099D+01  0.813140D+01 -0.125154D+02  0.643813D+01
      2   0.116457D+02 -0.814763D+00 -0.399922D+01 -0.344188D+01 -0.369647D+01
      3  -0.780405D+01  0.670575D+01 -0.413217D+01  0.159573D+02 -0.274165D+01
      4   0.138778D+02 -0.707051D+01  0.562331D+01 -0.475486D+01  0.620719D+01
      5   0.263417D+02  0.183484D+02 -0.103236D+02  0.125011D+02 -0.110658D+02
      6  -0.203078D+02 -0.147756D+02  0.129150D+02 -0.118282D+02  0.103057D+02
               176           177           178           179           180 
      1  -0.109303D+02  0.885295D+01 -0.576407D+01  0.493492D+01 -0.912484D+01
      2   0.584824D+01 -0.103576D+01 -0.253687D+01 -0.130534D+00 -0.336546D+01
      3   0.508203D+01 -0.781719D+01  0.830095D+01 -0.480438D+01  0.124903D+02
      4  -0.393695D+01  0.127519D+01 -0.262569D+01  0.131208D+01 -0.231490D+01
      5   0.552753D+01 -0.511355D+01  0.850254D+01 -0.383012D+01  0.759365D+01
      6  -0.138331D+02  0.148188D+02 -0.658168D+01  0.917049D+01 -0.856042D+01
               181           182           183           184           185 
      1   0.720962D+01 -0.667210D+00  0.465887D+01  0.534572D+00 -0.538023D+01
      2  -0.735792D+01  0.124169D+00  0.740826D+01 -0.281958D-01  0.279568D+01
      3   0.148298D+00  0.543041D+00 -0.120671D+02 -0.506377D+00  0.258455D+01
      4   0.137995D+02  0.111119D+02 -0.874169D+01  0.106341D+02  0.986885D+01
      5  -0.240869D+02 -0.138638D+02  0.198020D+02 -0.136291D+02 -0.105694D+02
      6  -0.137111D+02 -0.118326D+02  0.112784D+02 -0.936402D+01 -0.130021D+02
               186           187           188           189           190 
      1   0.557987D+01  0.189174D+01  0.281477D+01 -0.430389D+01 -0.214487D+01
      2   0.779148D+00  0.475773D+01  0.109323D+01 -0.593670D+01 -0.162947D+01
      3  -0.635902D+01 -0.664947D+01 -0.390801D+01  0.102406D+02  0.377435D+01
      4  -0.700164D+01 -0.458012D+01 -0.407379D+01  0.546677D+01 -0.136674D+00
      5   0.951793D+01  0.135636D+02  0.660737D+01 -0.124239D+02 -0.831428D+00
      6   0.139924D+02  0.674402D+01  0.914753D+01 -0.817207D+01  0.473712D+00
               191           192           193           194           195 
      1  -0.527906D+00 -0.236205D+01 -0.102592D+01 -0.924844D+01 -0.150762D+02
      2  -0.421478D+00  0.319518D+00 -0.362522D+00 -0.407326D+01 -0.118770D+02
      3   0.949384D+00  0.204253D+01  0.138844D+01  0.133217D+02  0.269532D+02
      4   0.300986D+01 -0.802036D-01  0.273676D+01 -0.575542D+01 -0.331708D+01
      5   0.131847D+01  0.691974D+01  0.379638D+01 -0.292299D+01 -0.485439D+01
      6   0.924128D+00  0.598659D+00  0.721491D+00  0.209605D+02  0.163620D+02
               196           197           198           199           200 
      1  -0.140776D+01 -0.722860D+01 -0.143396D+02  0.374883D+01  0.513261D+01
      2   0.242160D+00 -0.746459D+01 -0.133275D+02  0.119662D+00 -0.193572D+00
      3   0.116560D+01  0.146932D+02  0.276671D+02 -0.386849D+01 -0.493904D+01
      4  -0.331966D-02 -0.258441D+01 -0.303512D+01  0.628404D+01  0.106660D+02
      5   0.589535D+01 -0.267949D+01 -0.465094D+01  0.351818D+01  0.690708D+00
      6   0.278349D+00  0.133015D+02  0.124605D+02  0.740585D+00  0.656068D-01
               201           202           203           204           205 
      1   0.410378D+01  0.156392D+02  0.441160D+01 -0.164740D+01  0.846774D+01
      2  -0.158634D+01 -0.516501D+01  0.903285D+01  0.217413D+01 -0.332575D+01
      3  -0.251745D+01 -0.104742D+02 -0.134445D+02 -0.526735D+00 -0.514200D+01
      4   0.124874D+01  0.180524D+02  0.429324D+02  0.744783D+01  0.209178D+01
      5   0.335343D+01 -0.410126D+00  0.715577D+01  0.728951D+01  0.605248D+01
      6   0.522910D+00 -0.567878D+00 -0.414625D+00  0.357060D+01  0.474454D+00
               206           207           208           209           210 
      1  -0.265859D+00  0.186425D+01  0.651074D+02 -0.161562D+02  0.178093D+02
      2   0.107633D+01 -0.161043D+01 -0.323458D+02  0.737844D+01 -0.924882D+01
      3  -0.810476D+00 -0.253815D+00 -0.327617D+02  0.877773D+01 -0.856049D+01
      4   0.853032D+01  0.515993D+01 -0.171687D+02  0.123673D+02 -0.489608D+01
      5   0.529779D+01  0.745934D+00  0.190007D+02 -0.501537D+01  0.151432D+02
      6   0.325103D+01  0.133927D+01 -0.429276D+00  0.350533D+00 -0.269642D+00
               211           212           213           214           215 
      1  -0.323948D+02  0.126575D+02 -0.709024D+01  0.334561D+02 -0.703734D+01
      2   0.150902D+02 -0.352778D+01  0.351589D+01 -0.173916D+02  0.353784D+01
      3   0.173046D+02 -0.912975D+01  0.357435D+01 -0.160645D+02  0.349950D+01
      4   0.183722D+02 -0.115852D+02  0.735004D+01 -0.857024D+01  0.963887D+01
      5  -0.866832D+01  0.713382D+01 -0.891033D+01  0.229965D+02 -0.645082D+01
      6   0.133238D+01 -0.125998D+01  0.177438D+01 -0.127219D+01  0.195264D+01
               216           217           218           219           220 
      1   0.161981D+02  0.181226D+02 -0.193796D+01 -0.111295D+02 -0.550444D+01
      2  -0.112439D+02 -0.127292D+02  0.999274D+00  0.873406D+01  0.336483D+01
      3  -0.495421D+01 -0.539342D+01  0.938683D+00  0.239544D+01  0.213961D+01
      4  -0.598125D+01 -0.138407D+01  0.393210D+01 -0.145952D+01  0.679542D+01
      5   0.124930D+02 -0.150097D+02 -0.966986D+00  0.193867D+02  0.377412D+00
      6  -0.168858D+01 -0.687033D+00 -0.102011D+01  0.910458D+00 -0.218239D+01
               221           222           223           224           225 
      1   0.257863D+01 -0.158164D+00 -0.235838D+02 -0.187030D+01  0.137527D+02
      2  -0.158480D+01 -0.187941D+00  0.187943D+02  0.104951D+01 -0.224264D+02
      3  -0.993837D+00  0.346105D+00  0.478948D+01  0.820790D+00  0.867371D+01
      4   0.201022D+01 -0.506397D+01 -0.251974D+01 -0.709531D+01  0.148319D+00
      5  -0.458411D+01 -0.238230D+01  0.330895D+02 -0.374455D-01 -0.495144D+02
      6   0.193612D+00  0.421446D+01  0.975027D+00  0.428717D+01 -0.277910D+01
               226           227           228           229           230 
      1  -0.154365D+02 -0.187399D+02  0.123009D+00 -0.137812D+02 -0.180775D+02
      2   0.154878D+02  0.222963D+02  0.742294D+00  0.148971D+02  0.253180D+02
      3  -0.512917D-01 -0.355645D+01 -0.865303D+00 -0.111590D+01 -0.724043D+01
      4   0.895840D+01  0.124741D+01 -0.266470D+01  0.660345D+01 -0.374642D+00
      5   0.529791D+01  0.108522D+01 -0.451663D+00  0.219146D+01  0.266208D+01
      6  -0.320870D+00  0.416898D+01  0.403134D+01  0.183838D+01  0.192158D+01
               231           232           233           234           235 
      1  -0.236951D+00  0.243867D+01  0.592732D+00 -0.359377D+01  0.381447D+01
      2  -0.103013D+01 -0.123582D+00 -0.345567D+01  0.178118D+01 -0.215085D+01
      3   0.126708D+01 -0.231508D+01  0.286294D+01  0.181259D+01 -0.166362D+01
      4   0.777231D+00 -0.243767D+01  0.328233D+01 -0.450964D+00 -0.763900D+01
      5  -0.869350D+00  0.134529D+01 -0.159520D+01 -0.179905D+01 -0.815384D+01
      6   0.400081D+01  0.182427D+01  0.423767D+01  0.151965D+01  0.429617D+01
               236           237           238           239           240 
      1  -0.304688D+01 -0.382016D+01 -0.587242D+00 -0.245978D+01 -0.338179D+01
      2   0.492119D+00  0.505646D+01 -0.846196D+00  0.171415D+01  0.352479D+01
      3   0.255476D+01 -0.123630D+01  0.143344D+01  0.745627D+00 -0.143002D+00
      4   0.766074D+01  0.520543D+01  0.439728D+01 -0.279356D+01 -0.373411D+01
      5   0.345677D+01  0.123535D+02  0.376287D+00 -0.357002D+01 -0.246717D+01
      6  -0.214530D+01 -0.696198D+01 -0.145629D+01  0.407513D+01  0.811399D+01
               241           242           243           244           245 
      1  -0.391479D+01 -0.559485D+01 -0.899496D+01  0.246804D+02 -0.125383D+02
      2   0.602583D+01  0.441353D+01 -0.121244D+02  0.121204D+01 -0.859694D+01
      3  -0.211104D+01  0.118133D+01  0.211194D+02 -0.258924D+02  0.211352D+02
      4   0.853816D+01 -0.106135D+02 -0.140559D+02 -0.364751D+02  0.333907D+02
      5   0.160959D+02 -0.113977D+02 -0.350725D+02  0.556457D+01 -0.329497D+01
      6  -0.992849D+01  0.150223D+02  0.303991D+02 -0.521835D+01  0.369025D+01
               246           247           248           249           250 
      1   0.602147D+01 -0.858274D+01  0.267942D+01 -0.756031D+00  0.102790D+02
      2   0.794667D+00 -0.734668D+01  0.171368D+02 -0.439369D+01  0.112408D+01
      3  -0.681614D+01  0.159294D+02 -0.198162D+02  0.514972D+01 -0.114030D+02
      4  -0.843509D+01  0.251823D+02 -0.286376D+02  0.809714D+01 -0.168544D+02
      5   0.810538D+01 -0.243807D+01  0.507568D+01 -0.384569D+01  0.933624D+01
      6  -0.732361D+01  0.361105D+01 -0.504586D+01  0.551536D+01 -0.786255D+01
               251           252           253           254           255 
      1  -0.252130D+01  0.348973D+01 -0.993899D+01  0.169973D+02 -0.247005D+01
      2  -0.895340D+01  0.182178D+00  0.449516D+01 -0.408625D+01  0.171732D+01
      3   0.114747D+02 -0.367191D+01  0.544382D+01 -0.129111D+02  0.752728D+00
      4   0.183351D+02 -0.109402D+02  0.228728D+02 -0.205548D+02 -0.410469D+00
      5  -0.757574D+01  0.518412D+01 -0.267974D+01 -0.272507D+00 -0.191259D+02
      6   0.815497D+01 -0.515677D+01  0.626946D+00 -0.418904D+00  0.287342D+01
               256           257           258           259           260 
      1   0.156122D+01 -0.324171D+01 -0.224441D+01 -0.114207D+01 -0.607881D+00
      2  -0.332250D+01 -0.992545D+01  0.228487D+00  0.306999D+00  0.184596D+01
      3   0.176129D+01  0.131672D+02  0.201593D+01  0.835074D+00 -0.123808D+01
      4  -0.309207D+02 -0.436433D+02  0.234783D+01  0.242111D+01  0.393044D+01
      5   0.116182D+01  0.195512D+01 -0.126481D+02  0.760571D+01 -0.548185D+01
      6  -0.995028D+00  0.573289D+00 -0.889261D+01  0.791561D+00  0.463674D+01
               261           262           263           264           265 
      1  -0.983474D+00 -0.231046D+02 -0.390673D+02  0.381801D+01 -0.585666D+02
      2  -0.668784D+01  0.164990D+02  0.176701D+02 -0.242621D+01  0.278982D+02
      3   0.767131D+01  0.660560D+01  0.213972D+02 -0.139180D+01  0.306684D+02
      4  -0.516430D+01 -0.438611D+02  0.950789D+01  0.124777D+01 -0.551759D+01
      5   0.380845D+01  0.394858D+01  0.111681D+01  0.692684D+01  0.132088D+01
      6   0.202865D+01 -0.117026D+01 -0.536977D+00 -0.253401D+01 -0.651065D-01
               266           267           268           269           270 
      1  -0.341947D+01  0.218669D+01  0.615524D+01  0.204209D+01  0.457798D+01
      2   0.303547D+01 -0.367846D+01 -0.205918D+01 -0.424536D+01 -0.548528D+01
      3   0.383997D+00  0.149176D+01 -0.409606D+01  0.220327D+01  0.907297D+00
      4   0.204615D+02  0.358089D+01  0.163889D+01  0.455632D+01  0.375388D+02
      5   0.401438D+01  0.331558D+02 -0.942314D+01  0.399054D+02 -0.914422D+01
      6  -0.202371D+01 -0.110292D+02  0.620496D+01 -0.153997D+02  0.310403D+01
               271           272           273           274           275 
      1   0.163216D+02  0.104204D+02 -0.166390D+01  0.415524D+02 -0.101979D+02
      2  -0.531761D+01 -0.337601D+01  0.544382D+00 -0.129266D+02  0.325981D+02
      3  -0.110040D+02 -0.704439D+01  0.111951D+01 -0.286257D+02 -0.224002D+02
      4   0.167741D+02  0.225706D+02 -0.574948D+00  0.380737D+02  0.755357D+02
      5  -0.111929D+01 -0.559472D+00  0.106337D+02 -0.784766D-01 -0.292611D+01
      6  -0.406202D+00  0.208862D+00  0.277548D+00  0.110210D+01 -0.236357D+00
               276           277           278           279           280 
      1   0.204037D+01 -0.326309D+01  0.985012D+00  0.800119D-01  0.824440D+01
      2  -0.110686D+01  0.163425D+01 -0.147083D+01  0.100817D+01 -0.488869D+01
      3  -0.933512D+00  0.162884D+01  0.485817D+00 -0.108818D+01 -0.335571D+01
      4  -0.300968D+01 -0.150468D+01 -0.424322D+01  0.172787D+02 -0.194586D+01
      5   0.174096D+02  0.133033D+02  0.161804D+02 -0.448137D+01  0.678842D+01
      6   0.149282D+02  0.370437D+01  0.111574D+02 -0.206912D+01 -0.290724D+01
               281           282           283           284           285 
      1  -0.246861D+01  0.745209D+01 -0.870405D+01  0.770488D+00  0.180294D+01
      2   0.134761D+01 -0.342180D+01  0.319366D+01  0.443145D+01 -0.223761D+01
      3   0.112101D+01 -0.403029D+01  0.551039D+01 -0.520194D+01  0.434677D+00
      4   0.247536D+01 -0.319125D+01  0.151540D+02 -0.287698D+02  0.154170D+02
      5  -0.261259D+01  0.438359D+01 -0.664654D+01  0.158960D+02 -0.223956D+02
      6   0.116019D+00 -0.155463D+00  0.324636D+01 -0.933086D+01  0.109496D+02
               286           287           288           289           290 
      1   0.189441D+02 -0.726061D+00 -0.173292D+01  0.999545D+02  0.199699D+02
      2  -0.108658D+02 -0.325091D+00 -0.508090D+01 -0.531374D+02 -0.117141D+02
      3  -0.807832D+01  0.105115D+01  0.681383D+01 -0.468171D+02 -0.825577D+01
      4  -0.132671D+02  0.221799D+02 -0.239931D+02  0.146620D+02  0.146077D+02
      5   0.183932D+02 -0.255891D+02  0.419451D+02 -0.154508D+01 -0.364946D+00
      6  -0.582906D+01  0.129768D+02 -0.148891D+02  0.870250D+00  0.391845D+00
               291           292           293           294           295 
      1  -0.243418D+01  0.436921D+02  0.154676D+02 -0.879590D+00 -0.542615D+01
      2   0.125815D+01 -0.232866D+02 -0.734947D+01  0.681516D+00  0.284197D+01
      3   0.117602D+01 -0.204055D+02 -0.811814D+01  0.198074D+00  0.258417D+01
      4  -0.400798D+00  0.176459D+02  0.130904D+02 -0.994502D+00 -0.395290D+00
      5   0.130637D+02 -0.527158D+00 -0.904958D+00  0.404421D+01  0.145345D+02
      6  -0.741642D+00  0.440117D+00  0.421034D+00  0.191986D+01 -0.180391D+00
               296           297           298           299           300 
      1  -0.792561D+00  0.973726D+01  0.693517D+01 -0.326523D+01 -0.675809D+01
      2   0.832856D+00 -0.594834D+01 -0.315420D+01  0.189798D+01  0.307461D+01
      3  -0.402948D-01 -0.378891D+01 -0.378097D+01  0.136725D+01  0.368348D+01
      4  -0.151000D+01 -0.510420D+00 -0.204736D+01  0.195381D+01  0.233307D+01
      5  -0.157319D+00 -0.730292D+00 -0.568057D+01  0.159471D+01  0.207459D+01
      6   0.279237D+01 -0.193871D+00  0.295192D+01  0.377316D+00  0.347448D+00
               301           302           303           304           305 
      1  -0.109018D+02 -0.457058D+00 -0.314552D+01 -0.173758D+02 -0.495803D+00
      2   0.339016D+01  0.927565D+01  0.518376D+01  0.837534D+01  0.392870D+01
      3   0.751167D+01 -0.881859D+01 -0.203824D+01  0.900047D+01 -0.343290D+01
      4   0.170038D+02 -0.369792D+02 -0.168931D+02  0.120401D+02 -0.244082D+02
      5   0.510376D+01 -0.178318D+02 -0.222759D+02  0.137837D+02 -0.247689D+02
      6  -0.307530D+01  0.103805D+02  0.103593D+02 -0.500397D+01  0.125385D+02
               306 
      1  -0.221875D+01
      2  -0.476740D+00
      3   0.269549D+01
      4  -0.230796D+02
      5  -0.297948D+02
      6   0.118907D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.792518D+00      0.201438D+01      0.671925D+01
   x         -0.399882D+00     -0.101640D+01     -0.339034D+01
   y         -0.682884D+00     -0.173572D+01     -0.578973D+01
   z          0.429923D-01      0.109275D+00      0.364504D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139650D+03      0.206939D+02      0.230251D+02
   aniso      0.286901D+02      0.425143D+01      0.473036D+01
   xx         0.158276D+03      0.234541D+02      0.260962D+02
   yx        -0.240980D+01     -0.357096D+00     -0.397323D+00
   yy         0.133105D+03      0.197241D+02      0.219461D+02
   zx        -0.747736D+00     -0.110803D+00     -0.123285D+00
   zy        -0.361990D+00     -0.536414D-01     -0.596841D-01
   zz         0.127568D+03      0.189036D+02      0.210331D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.148059D+03      0.219401D+02      0.244117D+02
   aniso      0.312371D+02      0.462885D+01      0.515030D+01
   xx         0.168368D+03      0.249496D+02      0.277601D+02
   yx        -0.250089D+01     -0.370594D+00     -0.412341D+00
   yy         0.140892D+03      0.208780D+02      0.232299D+02
   zx        -0.742284D+00     -0.109995D+00     -0.122386D+00
   zy        -0.433706D+00     -0.642685D-01     -0.715084D-01
   zz         0.134918D+03      0.199928D+02      0.222449D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.34695539         -2.31069830          3.00693544
     6          0.03945243         -0.67474234          3.50351449
     6         -3.51318183         -1.05140682          0.65840305
     6         -1.76681862         -1.66169624         -1.58772636
     6          0.53733811          0.07168775         -1.10622672
     6         -0.05989549          1.37756853          1.42362544
     1         -3.63933844         -2.27305025          4.60982776
     1         -1.88515324         -4.28626128          2.64759821
     1          1.78335553         -1.75617724          3.39220290
     1         -0.01086082          0.20118038          5.36677333
     6         -2.97942034          1.79879542          1.12318670
     1         -5.49063769         -1.53145194          0.33654259
     1         -2.62723785         -1.25132595         -3.40940302
     1         -1.20422537         -3.64270666         -1.61150070
     1          0.76715778          1.44793784         -2.61387263
     8          2.90101757         -1.28117164         -0.91875038
     6          1.56922386          3.67089415          1.94901378
     6         -4.25097632          2.86656971          3.49082437
     6         -3.73912729          3.51006932         -1.08623449
     1          3.55697880          3.13338197          2.08104736
     1          1.04425832          4.56627264          3.73147236
     1          1.39916625          5.07814373          0.44897471
     1         -3.77933215          1.84906818          5.21222330
     1         -6.30279431          2.80858322          3.27245649
     1         -3.71932848          4.84102964          3.76701742
     1         -2.99857373          2.90837450         -2.90629655
     1         -3.09662191          5.44331854         -0.75827108
     1         -5.79583413          3.56853285         -1.24864692
     6          3.96889239         -2.01437686         -3.10785903
     6          6.42230969         -3.37242435         -2.63578167
     8          3.05601585         -1.62477918         -5.15752291
     1          7.70758109         -2.16007553         -1.57472492
     1          7.27041796         -3.90321399         -4.42796785
     1          6.07971368         -5.05539624         -1.49529810

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.792518D+00      0.201438D+01      0.671925D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.792518D+00      0.201438D+01      0.671925D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139650D+03      0.206939D+02      0.230251D+02
   aniso      0.286901D+02      0.425143D+01      0.473036D+01
   xx         0.147263D+03      0.218221D+02      0.242804D+02
   yx        -0.114901D+02     -0.170266D+01     -0.189447D+01
   yy         0.134209D+03      0.198878D+02      0.221281D+02
   zx        -0.838645D+01     -0.124274D+01     -0.138274D+01
   zy         0.508694D+01      0.753806D+00      0.838722D+00
   zz         0.137477D+03      0.203719D+02      0.226668D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.148059D+03      0.219401D+02      0.244117D+02
   aniso      0.312371D+02      0.462885D+01      0.515030D+01
   xx         0.156356D+03      0.231695D+02      0.257796D+02
   yx        -0.124197D+02     -0.184041D+01     -0.204774D+01
   yy         0.142046D+03      0.210490D+02      0.234202D+02
   zx        -0.920841D+01     -0.136455D+01     -0.151826D+01
   zy         0.557701D+01      0.826428D+00      0.919525D+00
   zz         0.145776D+03      0.216018D+02      0.240352D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U23-36\Freq\RB3LYP\Gen\C12H20O2\PIERPA\09-Jul-2021\0\\#P 
 B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm
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 663465,-1.875848\H,-0.528201,-1.466626,-2.381766\H,0.193323,-2.210778,
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 H,-1.959508,0.80511,-2.154682\H,0.128882,1.932113,-1.369936\H,0.741881
 ,0.427523,-2.028774\H,0.689863,1.251037,0.790022\O,1.689332,-0.414672,
 0.16404\C,-0.691646,-0.656663,2.148773\C,-3.263934,-0.215407,0.272245\
 C,-1.976808,1.860613,0.570939\H,0.188258,-1.234779,2.438218\H,-1.57369
 ,-1.214726,2.46804\H,-0.66649,0.284659,2.701973\H,-3.312198,-1.262484,
 -0.01636\H,-4.016543,0.322861,-0.308315\H,-3.555175,-0.148366,1.322428
 \H,-1.062281,2.434735,0.442068\H,-2.228382,1.873406,1.633417\H,-2.7717
 33,2.392658,0.043778\C,2.862479,0.235712,0.052007\C,4.017566,-0.72749,
 0.101407\O,2.958317,1.430494,-0.072931\H,3.985571,-1.30206,1.027842\H,
 4.952347,-0.178454,0.034385\H,3.942814,-1.436137,-0.724719\\Version=ES
 64L-G16RevA.03\State=1-A\HF=-620.089649\RMSD=6.686e-09\RMSF=1.285e-05\
 ZeroPoint=0.3023462\Thermal=0.3168827\Dipole=-0.3998819,-0.6828843,0.0
 429923\DipoleDeriv=0.1391452,0.031452,-0.0140674,0.0210828,-0.0050667,
 0.0331508,-0.0139158,0.0256004,0.0598177,0.0886784,0.0374395,-0.026429
 3,0.0051623,0.0356695,-0.0364008,-0.0207832,-0.0415216,-0.0143256,0.06
 55856,-0.0402185,0.0599055,-0.0184207,0.0638574,-0.0364955,0.0796501,-
 0.0657876,0.0948599,-0.0210304,-0.0157756,-0.0272621,0.0173599,0.10300
 75,0.0051879,-0.0196617,0.0445806,-0.057386,0.9337517,-0.0464471,0.073
 1825,-0.2998242,0.2288192,0.0028701,-0.0025544,0.0006666,0.2357115,-0.
 0081824,-0.0154099,-0.0137112,-0.0012377,-0.0013312,-0.0030879,-0.0161
 268,0.0013627,0.1465547,-0.1190928,-0.0987687,-0.0982093,-0.0805673,-0
 .0089305,-0.021882,-0.0408064,-0.0029483,0.0149785,-0.036711,0.0642316
 ,0.1389099,0.0229902,0.0184508,-0.0278532,0.0656739,-0.0428593,-0.0976
 292,-0.0519708,0.1272928,-0.0060781,0.0910833,0.0080988,0.0059091,0.01
 05815,-0.0082218,0.0185143,-0.048759,-0.1262944,0.0514557,-0.082117,-0
 .0364959,0.0561431,0.0329842,0.0718946,-0.0152107,0.1094978,0.0206693,
 -0.0129483,-0.0046166,0.1152248,0.0222736,-0.0170642,0.0392772,-0.0072
 428,-0.0647917,0.0548367,-0.1017812,0.0478125,-0.0298599,0.0816261,-0.
 0833689,0.0638657,-0.0776501,0.0376132,-0.0209319,-0.0183432,-0.017060
 4,-0.127671,0.0422567,-0.032009,-0.0132835,0.0404238,-0.0471743,0.0228
 728,0.0879657,0.0689926,0.0209763,-0.0737688,0.0815118,-0.0147516,-0.0
 424825,-0.0095024,-0.0299621,-0.0463205,0.0543667,-0.0333138,-0.058508
 6,-0.0236288,-0.0445878,-0.0391764,-2.0123064,-0.1584465,-0.0196981,-0
 .1592385,-0.5642829,0.0593414,0.0830422,0.0508812,-0.2515665,0.0595964
 ,0.0149611,-0.0183545,-0.0027556,0.0752109,0.024825,-0.0090849,0.01939
 78,-0.0118834,-0.0170352,-0.0548816,0.0223645,-0.0241079,0.0239172,-0.
 0062689,0.0183402,-0.006893,0.0893398,0.0475822,-0.0023204,0.0104735,-
 0.0136102,-0.0316022,-0.0407364,0.0001948,-0.0395339,0.0768612,-0.0596
 733,0.093608,-0.0837897,0.0908428,0.0050291,0.0498345,-0.0389071,0.014
 689,0.0221549,-0.0787742,-0.0986354,0.0878449,-0.0865899,0.0068664,0.0
 419943,0.0336406,0.0146251,0.0151908,0.0628648,-0.0107487,0.0075044,-0
 .0102332,-0.0921928,-0.1241517,-0.0017441,-0.0550917,-0.0258966,0.0634
 81,-0.0041567,-0.0017708,-0.0474206,-0.1278983,-0.0440373,-0.0115225,-
 0.0491217,0.048047,-0.0793058,0.047302,-0.0441205,0.0968851,0.0057535,
 0.0609799,-0.105953,0.0580371,-0.0010758,0.0193851,-0.0060416,0.030284
 ,-0.0067735,0.0556695,-0.0230201,0.1035924,-0.0085613,-0.1379292,-0.07
 22478,-0.1123988,0.008798,-0.0906646,-0.0027232,0.0032468,0.0156712,0.
 0120081,0.0564708,0.0447479,0.0057029,0.046028,-0.0030487,0.0352362,0.
 0170268,0.0700987,-0.0494586,-0.1430582,-0.0696941,0.110987,-0.0567288
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 NOT WHAT WE DID SHALL BE THE TEST
 WHEN ACT AND WILL ARE DONE,
 BUT WHAT OUR LORD INFERS WE WOULD-
 HAD WE DIVINER BEEN.
           EMILY DICKINSON  POEMS NO. CLXXV
 Job cpu time:       0 days 13 hours 38 minutes 28.6 seconds.
 Elapsed time:       0 days  1 hours  8 minutes 23.1 seconds.
 File lengths (MBytes):  RWF=    683 Int=      0 D2E=      0 Chk=     22 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul  9 22:20:51 2021.
